methyl 4,5-dimethyl-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H21N3O2S3 MolecularWeight: 467.62674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=C(C(=C(S4)C)C)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=C(C(=C(S4)C)C)C(=O)OC

InChI

InChI=1S/C23H21N3O2S3/c1-12-5-10-17-18(11-12)31-20(25-17)15-6-8-16(9-7-15)24-23(29)26-21-19(22(27)28-4)13(2)14(3)30-21/h5-11H,1-4H3,(H2,24,26,29)