methyl 3-chloranyl-6-[(phenylmethyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(phenylmethyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-(benzylcarbamothioylamino)-3-chloro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-(benzylcarbamothioylamino)-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-(benzylthiocarbamoylamino)-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C18H15ClN2O2S2 MolecularWeight: 390.9069

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCC3=CC=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C18H15ClN2O2S2/c1-23-17(22)16-15(19)13-8-7-12(9-14(13)25-16)21-18(24)20-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,20,21,24)