3-cyclohexyl-2-[[2-(2-methylpropyl)-4,6-bis(oxidanylidene)heptanethioyl]amino]-N-phenethyl-propanamide

Systemtic Name: 3-cyclohexyl-2-[[2-(2-methylpropyl)-4,6-bis(oxidanylidene)heptanethioyl]amino]-N-phenethyl-propanamide Openeye Name: 3-cyclohexyl-2-[(2-isobutyl-4,6-dioxo-heptanethioyl)amino]-N-phenethyl-propanamide CAS Name: 3-cyclohexyl-2-[[2-(2-methylpropyl)-4,6-dioxo-1-sulfanylideneheptyl]amino]-N-phenethylpropanamide IUPAC Name: 3-cyclohexyl-2-[[2-(2-methylpropyl)-4,6-dioxoheptanethioyl]amino]-N-phenethylpropanamide Traditional Name: 3-cyclohexyl-2-[(2-isobutyl-4,6-diketo-heptanethioyl)amino]-N-phenethyl-propionamide Formula: C28H42N2O3S MolecularWeight: 486.70968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)CC(=O)C)C(=S)NC(CC1CCCCC1)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(CC(=O)CC(=O)C)C(=S)NC(CC1CCCCC1)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C28H42N2O3S/c1-20(2)16-24(19-25(32)17-21(3)31)28(34)30-26(18-23-12-8-5-9-13-23)27(33)29-15-14-22-10-6-4-7-11-22/h4,6-7,10-11,20,23-24,26H,5,8-9,12-19H2,1-3H3,(H,29,33)(H,30,34)