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

Systemtic Name: 3-cyano-2-(4-methoxyphenyl)-1-(2-methylpropyl)-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)guanidine Openeye Name: 3-cyano-1-isobutyl-2-(4-methoxyphenyl)-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)guanidine CAS Name: 3-cyano-2-(4-methoxyphenyl)-1-(2-methylpropyl)-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)guanidine IUPAC Name: 3-cyano-2-(4-methoxyphenyl)-1-(2-methylpropyl)-1-(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)guanidine Traditional Name: 3-cyano-1-isobutyl-2-(4-methoxyphenyl)-1-(2-thioxo-3H-1,3-benzothiazol-6-yl)guanidine Formula: C20H21N5OS2 MolecularWeight: 411.54364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS2/c1-13(2)11-25(15-6-9-17-18(10-15)28-20(27)24-17)19(22-12-21)23-14-4-7-16(26-3)8-5-14/h4-10,13H,11H2,1-3H3,(H,22,23)(H,24,27)