methyl 4-[4-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-3-methoxy-5-methyl-phenyl]-3-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: methyl 4-[4-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-3-methoxy-5-methyl-phenyl]-3-oxidanylidene-piperazine-1-carboxylate Openeye Name: methyl 4-[4-[3-[4-(benzothiophen-4-yl)piperazin-1-yl]propoxy]-3-methoxy-5-methyl-phenyl]-3-oxo-piperazine-1-carboxylate CAS Name: 4-[4-[3-[4-(1-benzothiophen-4-yl)-1-piperazinyl]propoxy]-3-methoxy-5-methylphenyl]-3-oxo-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-3-methoxy-5-methylphenyl]-3-oxopiperazine-1-carboxylate Traditional Name: 4-[4-[3-[4-(benzothiophen-4-yl)piperazino]propoxy]-3-methoxy-5-methyl-phenyl]-3-keto-piperazine-1-carboxylic acid methyl ester Formula: C29H36N4O5S MolecularWeight: 552.68494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCN2CCN(CC2)C3=C4C=CSC4=CC=C3)OC)N5CCN(CC5=O)C(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1OCCCN2CCN(CC2)C3=C4C=CSC4=CC=C3)OC)N5CCN(CC5=O)C(=O)OC

InChI

InChI=1S/C29H36N4O5S/c1-21-18-22(33-15-14-32(20-27(33)34)29(35)37-3)19-25(36-2)28(21)38-16-5-9-30-10-12-31(13-11-30)24-6-4-7-26-23(24)8-17-39-26/h4,6-8,17-19H,5,9-16,20H2,1-3H3