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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C21H16ClN3O2S3/c1-27-19(26)14-11-13(10-12-6-3-2-4-7-12)29-18(14)24-20(28)25-21-23-17-15(22)8-5-9-16(17)30-21/h2-9,11H,10H2,1H3,(H2,23,24,25,28)