methyl 5-(phenylmethyl)-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(phenylmethyl)-2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[4-[(E)-cinnamyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-[(E)-cinnamyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C27H29N3O2S2 MolecularWeight: 491.66806

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2S2/c1-32-26(31)24-20-23(19-22-11-6-3-7-12-22)34-25(24)28-27(33)30-17-15-29(16-18-30)14-8-13-21-9-4-2-5-10-21/h2-13,20H,14-19H2,1H3,(H,28,33)/b13-8+