2-(4-butoxyphenyl)-1-cyano-3-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)guanidine

Systemtic Name: 2-(4-butoxyphenyl)-1-cyano-3-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)guanidine Openeye Name: 2-(4-butoxyphenyl)-1-cyano-3-(2-thioxo-3H-1,3-benzothiazol-6-yl)guanidine CAS Name: 2-(4-butoxyphenyl)-1-cyano-3-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)guanidine IUPAC Name: 2-(4-butoxyphenyl)-1-cyano-3-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)guanidine Traditional Name: 2-(4-butoxyphenyl)-1-cyano-3-(2-thioxo-3H-1,3-benzothiazol-6-yl)guanidine Formula: C19H19N5OS2 MolecularWeight: 397.51706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N=C(NC#N)NC2=CC3=C(C=C2)NC(=S)S3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N=C(NC#N)NC2=CC3=C(C=C2)NC(=S)S3

InChI

InChI=1S/C19H19N5OS2/c1-2-3-10-25-15-7-4-13(5-8-15)22-18(21-12-20)23-14-6-9-16-17(11-14)27-19(26)24-16/h4-9,11H,2-3,10H2,1H3,(H,24,26)(H2,21,22,23)