methyl 5-(phenylmethyl)-2-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(phenylmethyl)-2-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[4-(1-piperidylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(piperidinomethyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C26H29N3O2S2 MolecularWeight: 479.65736

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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)CN4CCCCC4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)CN4CCCCC4

InChI

InChI=1S/C26H29N3O2S2/c1-31-25(30)23-17-22(16-19-8-4-2-5-9-19)33-24(23)28-26(32)27-21-12-10-20(11-13-21)18-29-14-6-3-7-15-29/h2,4-5,8-13,17H,3,6-7,14-16,18H2,1H3,(H2,27,28,32)