methyl 5-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]carbothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-(1-naphthalenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[4-(naphthalen-1-ylmethyl)piperazine-1-carbothioyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(1-naphthylmethyl)piperazine-1-carbothioyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C29H29N3O2S2 MolecularWeight: 515.68946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O2S2/c1-20-25(22-10-4-3-5-11-22)26(28(33)34-2)27(36-20)30-29(35)32-17-15-31(16-18-32)19-23-13-8-12-21-9-6-7-14-24(21)23/h3-14H,15-19H2,1-2H3,(H,30,35)