1-[2-[[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-[4-[[3-(4-chlorophenyl)-3-pyridin-2-yl-propyl]-methyl-amino]butyl]-3-cyano-guanidine

Systemtic Name: 1-[2-[[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-[4-[[3-(4-chlorophenyl)-3-pyridin-2-yl-propyl]-methyl-amino]butyl]-3-cyano-guanidine Openeye Name: 2-[4-[[3-(4-chlorophenyl)-3-(2-pyridyl)propyl]-methyl-amino]butyl]-1-cyano-3-[2-[(2-guanidinothiazol-4-yl)methylsulfanyl]ethyl]guanidine CAS Name: 2-[4-[[3-(4-chlorophenyl)-3-(2-pyridinyl)propyl]-methylamino]butyl]-1-cyano-3-[2-[[2-(diaminomethylideneamino)-4-thiazolyl]methylthio]ethyl]guanidine IUPAC Name: 2-[4-[[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]-methylamino]butyl]-1-cyano-3-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]guanidine Traditional Name: 2-[4-[[3-(4-chlorophenyl)-3-(2-pyridyl)propyl]-methyl-amino]butyl]-1-cyano-3-[2-[(2-guanidinothiazol-4-yl)methylthio]ethyl]guanidine Formula: C28H37ClN10S2 MolecularWeight: 613.24338

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCN=C(NCCSCC1=CSC(=N1)N=C(N)N)NC#N)CCC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3

Isomeric SMILES

CN(CCCCN=C(NCCSCC1=CSC(=N1)N=C(N)N)NC#N)CCC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3

InChI

InChI=1S/C28H37ClN10S2/c1-39(16-11-24(25-6-2-3-12-33-25)21-7-9-22(29)10-8-21)15-5-4-13-34-27(36-20-30)35-14-17-40-18-23-19-41-28(37-23)38-26(31)32/h2-3,6-10,12,19,24H,4-5,11,13-18H2,1H3,(H2,34,35,36)(H4,31,32,37,38)