[6-[[4-[2-(diphenylmethyl)sulfanylethyl]piperazin-1-yl]-ethyl-carbamoyl]-7-oxidanyl-naphthalen-1-yl] ethanoate

Systemtic Name: [6-[[4-[2-(diphenylmethyl)sulfanylethyl]piperazin-1-yl]-ethyl-carbamoyl]-7-oxidanyl-naphthalen-1-yl] ethanoate Openeye Name: [6-[[4-(2-benzhydrylsulfanylethyl)piperazin-1-yl]-ethyl-carbamoyl]-7-hydroxy-1-naphthyl] acetate CAS Name: acetic acid [6-[[[4-[2-[(diphenylmethyl)thio]ethyl]-1-piperazinyl]-ethylamino]-oxomethyl]-7-hydroxy-1-naphthalenyl] ester IUPAC Name: [6-[[4-(2-benzhydrylsulfanylethyl)piperazin-1-yl]-ethylcarbamoyl]-7-hydroxynaphthalen-1-yl] acetate Traditional Name: acetic acid [6-[[4-[2-(benzhydrylthio)ethyl]piperazino]-ethyl-carbamoyl]-7-hydroxy-1-naphthyl] ester Formula: C34H37N3O4S MolecularWeight: 583.74028

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)C1=C(C=C2C(=C1)C=CC=C2OC(=O)C)O)N3CCN(CC3)CCSC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN(C(=O)C1=C(C=C2C(=C1)C=CC=C2OC(=O)C)O)N3CCN(CC3)CCSC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C34H37N3O4S/c1-3-37(34(40)30-23-28-15-10-16-32(41-25(2)38)29(28)24-31(30)39)36-19-17-35(18-20-36)21-22-42-33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23-24,33,39H,3,17-22H2,1-2H3