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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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