ethyl 5-(phenylmethyl)-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[2-(phenylthio)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(2-phenylsulfanylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[2-(phenylthio)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H24N2O2S3 MolecularWeight: 504.68666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C27H24N2O2S3/c1-2-31-26(30)22-18-21(17-19-11-5-3-6-12-19)34-25(22)29-27(32)28-23-15-9-10-16-24(23)33-20-13-7-4-8-14-20/h3-16,18H,2,17H2,1H3,(H2,28,29,32)