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

Systemtic Name: ethyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H23N3O2S3 MolecularWeight: 481.65332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NC4=C(S3)C=C(C(=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NC4=C(S3)C=C(C(=C4)C)C

InChI

InChI=1S/C24H23N3O2S3/c1-4-29-22(28)18-13-17(12-16-8-6-5-7-9-16)31-21(18)26-23(30)27-24-25-19-10-14(2)15(3)11-20(19)32-24/h5-11,13H,4,12H2,1-3H3,(H2,25,26,27,30)