2-[[cyclohex-2-en-1-yl(diphenyl)methyl]sulfanyl-propyl-amino]-3-methyl-butanal

Systemtic Name: 2-[[cyclohex-2-en-1-yl(diphenyl)methyl]sulfanyl-propyl-amino]-3-methyl-butanal Openeye Name: 2-[[cyclohex-2-en-1-yl(diphenyl)methyl]sulfanyl-propyl-amino]-3-methyl-butanal CAS Name: 1-(1-cyclohex-2-enyl)-N-(3-methyl-1-oxobutan-2-yl)-1,1-diphenyl-N-propylmethanesulfenamide IUPAC Name: 2-[[cyclohex-2-en-1-yl(diphenyl)methyl]sulfanyl-propylamino]-3-methylbutanal Traditional Name: 2-[[[cyclohex-2-en-1-yl(diphenyl)methyl]thio]-propyl-amino]-3-methyl-butyraldehyde Formula: C27H35NOS MolecularWeight: 421.6379

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(C=O)C(C)C)SC(C1CCCC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCN(C(C=O)C(C)C)SC(C1CCCC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H35NOS/c1-4-20-28(26(21-29)22(2)3)30-27(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-6,8-12,14-18,21-22,25-26H,4,7,13,19-20H2,1-3H3