[2-[bis(phenylmethyl)amino]-4-butyl-4-methylsulfanyl-3-oxidanylidene-cyclohexa-1,5-dien-1-yl] ethanoate

Systemtic Name: [2-[bis(phenylmethyl)amino]-4-butyl-4-methylsulfanyl-3-oxidanylidene-cyclohexa-1,5-dien-1-yl] ethanoate Openeye Name: [4-butyl-2-(dibenzylamino)-4-methylsulfanyl-3-oxo-cyclohexa-1,5-dien-1-yl] acetate CAS Name: acetic acid [2-[bis(phenylmethyl)amino]-4-butyl-4-(methylthio)-3-oxo-1-cyclohexa-1,5-dienyl] ester IUPAC Name: [4-butyl-2-(dibenzylamino)-4-methylsulfanyl-3-oxocyclohexa-1,5-dien-1-yl] acetate Traditional Name: acetic acid [4-butyl-2-(dibenzylamino)-3-keto-4-(methylthio)cyclohexa-1,5-dien-1-yl] ester Formula: C27H31NO3S MolecularWeight: 449.60494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=CC(=C(C1=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)OC(=O)C)SC

Isomeric SMILES

CCCCC1(C=CC(=C(C1=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)OC(=O)C)SC

InChI

InChI=1S/C27H31NO3S/c1-4-5-17-27(32-3)18-16-24(31-21(2)29)25(26(27)30)28(19-22-12-8-6-9-13-22)20-23-14-10-7-11-15-23/h6-16,18H,4-5,17,19-20H2,1-3H3