3-[(3-methylsulfanylphenyl)-propyl-amino]-6-phenethyl-6-phenyl-oxane-2,4-dione

Systemtic Name: 3-[(3-methylsulfanylphenyl)-propyl-amino]-6-phenethyl-6-phenyl-oxane-2,4-dione Openeye Name: 3-(3-methylsulfanyl-N-propyl-anilino)-6-phenethyl-6-phenyl-tetrahydropyran-2,4-dione CAS Name: 3-[3-(methylthio)-N-propylanilino]-6-phenethyl-6-phenyloxane-2,4-dione IUPAC Name: 3-(3-methylsulfanyl-N-propylanilino)-6-phenethyl-6-phenyloxane-2,4-dione Traditional Name: 3-[3-(methylthio)-N-propyl-anilino]-6-phenethyl-6-phenyl-tetrahydropyran-2,4-quinone Formula: C29H31NO3S MolecularWeight: 473.62634

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1C(=O)CC(OC1=O)(CCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)SC

Isomeric SMILES

CCCN(C1C(=O)CC(OC1=O)(CCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)SC

InChI

InChI=1S/C29H31NO3S/c1-3-19-30(24-15-10-16-25(20-24)34-2)27-26(31)21-29(33-28(27)32,23-13-8-5-9-14-23)18-17-22-11-6-4-7-12-22/h4-16,20,27H,3,17-19,21H2,1-2H3