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

Systemtic Name: methyl 2-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H16ClN3O2S3 MolecularWeight: 474.01864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClN3O2S3/c1-11-15(12-7-4-3-5-8-12)16(19(26)27-2)18(29-11)24-20(28)25-21-23-17-13(22)9-6-10-14(17)30-21/h3-10H,1-2H3,(H2,23,24,25,28)