1-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-isopentyl-3-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]thiourea CAS Name: 1-[(Z)-1-[4-methoxy-3-[(2-pyrimidinylthio)methyl]phenyl]ethylideneamino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[(Z)-1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]-3-(3-methylbutyl)thiourea Traditional Name: 1-isoamyl-3-[(Z)-1-[4-methoxy-3-[(2-pyrimidylthio)methyl]phenyl]ethylideneamino]thiourea Formula: C20H27N5OS2 MolecularWeight: 417.59128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NN=C(C)C1=CC(=C(C=C1)OC)CSC2=NC=CC=N2

Isomeric SMILES

CC(C)CCNC(=S)N/N=C(/C)\C1=CC(=C(C=C1)OC)CSC2=NC=CC=N2

InChI

InChI=1S/C20H27N5OS2/c1-14(2)8-11-21-19(27)25-24-15(3)16-6-7-18(26-4)17(12-16)13-28-20-22-9-5-10-23-20/h5-7,9-10,12,14H,8,11,13H2,1-4H3,(H2,21,25,27)/b24-15-