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

Systemtic Name: methyl 2-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H14ClN3O2S3 MolecularWeight: 459.99206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O2S3/c1-26-18(25)12-10-15(11-6-3-2-4-7-11)28-17(12)23-19(27)24-20-22-16-13(21)8-5-9-14(16)29-20/h2-10H,1H3,(H2,22,23,24,27)