[6-aminocarbonyl-4-(4-chlorophenyl)-2,5-diethyl-7-oxidanyl-3-(phenylmethylsulfanyl)-8-piperazin-1-yl-naphthalen-1-yl] ethanoate

Systemtic Name: [6-aminocarbonyl-4-(4-chlorophenyl)-2,5-diethyl-7-oxidanyl-3-(phenylmethylsulfanyl)-8-piperazin-1-yl-naphthalen-1-yl] ethanoate Openeye Name: [3-benzylsulfanyl-6-carbamoyl-4-(4-chlorophenyl)-2,5-diethyl-7-hydroxy-8-piperazin-1-yl-1-naphthyl] acetate CAS Name: acetic acid [6-carbamoyl-4-(4-chlorophenyl)-2,5-diethyl-7-hydroxy-3-(phenylmethylthio)-8-(1-piperazinyl)-1-naphthalenyl] ester IUPAC Name: [3-benzylsulfanyl-6-carbamoyl-4-(4-chlorophenyl)-2,5-diethyl-7-hydroxy-8-piperazin-1-ylnaphthalen-1-yl] acetate Traditional Name: acetic acid [3-(benzylthio)-6-carbamoyl-4-(4-chlorophenyl)-2,5-diethyl-7-hydroxy-8-piperazino-1-naphthyl] ester Formula: C34H36ClN3O4S MolecularWeight: 618.18534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C2=C1C(=C(C(=C2OC(=O)C)CC)SCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)N5CCNCC5)O)C(=O)N

Isomeric SMILES

CCC1=C(C(=C(C2=C1C(=C(C(=C2OC(=O)C)CC)SCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)N5CCNCC5)O)C(=O)N

InChI

InChI=1S/C34H36ClN3O4S/c1-4-24-27-26(22-11-13-23(35)14-12-22)33(43-19-21-9-7-6-8-10-21)25(5-2)32(42-20(3)39)29(27)30(31(40)28(24)34(36)41)38-17-15-37-16-18-38/h6-14,37,40H,4-5,15-19H2,1-3H3,(H2,36,41)