3-cyano-1-(2-methylpropyl)-2-phenyl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)guanidine

Systemtic Name: 3-cyano-1-(2-methylpropyl)-2-phenyl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)guanidine Openeye Name: 3-cyano-1-isobutyl-2-phenyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)guanidine CAS Name: 3-cyano-1-(2-methylpropyl)-2-phenyl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)guanidine IUPAC Name: 3-cyano-1-(2-methylpropyl)-2-phenyl-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)guanidine Traditional Name: 3-cyano-1-isobutyl-2-phenyl-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)guanidine Formula: C19H19N5S2 MolecularWeight: 381.51766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1=CC2=C(C=C1)NC(=S)S2)C(=NC3=CC=CC=C3)NC#N

Isomeric SMILES

CC(C)CN(C1=CC2=C(C=C1)NC(=S)S2)C(=NC3=CC=CC=C3)NC#N

InChI

InChI=1S/C19H19N5S2/c1-13(2)11-24(15-8-9-16-17(10-15)26-19(25)23-16)18(21-12-20)22-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,21,22)(H,23,25)