ethyl 5-(phenylmethyl)-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-(phenylmethyl)-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-(4-pyridylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[4-(pyridin-4-ylmethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(4-pyridylmethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H25N3O2S2 MolecularWeight: 487.6363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)CC4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C27H25N3O2S2/c1-2-32-26(31)24-18-23(17-19-6-4-3-5-7-19)34-25(24)30-27(33)29-22-10-8-20(9-11-22)16-21-12-14-28-15-13-21/h3-15,18H,2,16-17H2,1H3,(H2,29,30,33)