N-[4-[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]-4-butyl-benzamide

Systemtic Name: N-[4-[2-[bis(azanyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]-4-butyl-benzamide Openeye Name: 4-butyl-N-[4-(2-guanidinothiazol-4-yl)phenyl]benzamide CAS Name: 4-butyl-N-[4-[2-(diaminomethylideneamino)-4-thiazolyl]phenyl]benzamide IUPAC Name: 4-butyl-N-[4-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]phenyl]benzamide Traditional Name: 4-butyl-N-[4-(2-guanidinothiazol-4-yl)phenyl]benzamide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N=C(N)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N=C(N)N

InChI

InChI=1S/C21H23N5OS/c1-2-3-4-14-5-7-16(8-6-14)19(27)24-17-11-9-15(10-12-17)18-13-28-21(25-18)26-20(22)23/h5-13H,2-4H2,1H3,(H,24,27)(H4,22,23,25,26)