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

Systemtic Name: ethyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoylamino]-5-methyl-4-phenyl-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(=C1C2=CC=CC=C2)C)NC(=S)NC3=NC4=C(S3)C=C(C(=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=NC4=C(S3)C=C(C(=C4)C)C

InChI

InChI=1S/C24H23N3O2S3/c1-5-29-22(28)20-19(16-9-7-6-8-10-16)15(4)31-21(20)26-23(30)27-24-25-17-11-13(2)14(3)12-18(17)32-24/h6-12H,5H2,1-4H3,(H2,25,26,27,30)