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

Systemtic Name: methyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)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=C1C)SC(=N2)NC(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C23H21N3O2S3/c1-13-9-18-19(10-14(13)2)31-23(24-18)26-22(29)25-20-17(21(27)28-3)12-16(30-20)11-15-7-5-4-6-8-15/h4-10,12H,11H2,1-3H3,(H2,24,25,26,29)