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

Systemtic Name: [6-aminocarbonyl-4-(4-chlorophenyl)-2,5-diethyl-7-oxidanyl-8-piperazin-1-yl-3-(pyridin-4-ylmethylsulfanyl)naphthalen-1-yl] ethanoate Openeye Name: [6-carbamoyl-4-(4-chlorophenyl)-2,5-diethyl-7-hydroxy-8-piperazin-1-yl-3-(4-pyridylmethylsulfanyl)-1-naphthyl] acetate CAS Name: acetic acid [6-carbamoyl-4-(4-chlorophenyl)-2,5-diethyl-7-hydroxy-8-(1-piperazinyl)-3-(pyridin-4-ylmethylthio)-1-naphthalenyl] ester IUPAC Name: [6-carbamoyl-4-(4-chlorophenyl)-2,5-diethyl-7-hydroxy-8-piperazin-1-yl-3-(pyridin-4-ylmethylsulfanyl)naphthalen-1-yl] acetate Traditional Name: acetic acid [6-carbamoyl-4-(4-chlorophenyl)-2,5-diethyl-7-hydroxy-8-piperazino-3-(4-pyridylmethylthio)-1-naphthyl] ester Formula: C33H35ClN4O4S MolecularWeight: 619.1734

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H35ClN4O4S/c1-4-23-26-25(21-6-8-22(34)9-7-21)32(43-18-20-10-12-36-13-11-20)24(5-2)31(42-19(3)39)28(26)29(30(40)27(23)33(35)41)38-16-14-37-15-17-38/h6-13,37,40H,4-5,14-18H2,1-3H3,(H2,35,41)