methyl 2-[(4-phenylmethoxyphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-phenylmethoxyphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(4-benzyloxyphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(4-phenylmethoxyanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(4-phenylmethoxyphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(4-benzoxyphenyl)thiocarbamoylamino]-5-benzyl-thiophene-3-carboxylic acid methyl ester Formula: C27H24N2O3S2 MolecularWeight: 488.62106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H24N2O3S2/c1-31-26(30)24-17-23(16-19-8-4-2-5-9-19)34-25(24)29-27(33)28-21-12-14-22(15-13-21)32-18-20-10-6-3-7-11-20/h2-15,17H,16,18H2,1H3,(H2,28,29,33)