2-acetamido-4-methyl-N-(3-phenyl-1-pyrrolidin-1-yl-1-sulfanylidene-propan-2-yl)pentanamide

Systemtic Name: 2-acetamido-4-methyl-N-(3-phenyl-1-pyrrolidin-1-yl-1-sulfanylidene-propan-2-yl)pentanamide Openeye Name: 2-acetamido-N-(1-benzyl-2-pyrrolidin-1-yl-2-thioxo-ethyl)-4-methyl-pentanamide CAS Name: 2-acetamido-4-methyl-N-[3-phenyl-1-(1-pyrrolidinyl)-1-sulfanylidenepropan-2-yl]pentanamide IUPAC Name: 2-acetamido-4-methyl-N-(3-phenyl-1-pyrrolidin-1-yl-1-sulfanylidenepropan-2-yl)pentanamide Traditional Name: 2-acetamido-N-(1-benzyl-2-pyrrolidino-2-thioxo-ethyl)-4-methyl-valeramide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=S)N2CCCC2)NC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=S)N2CCCC2)NC(=O)C

InChI

InChI=1S/C21H31N3O2S/c1-15(2)13-18(22-16(3)25)20(26)23-19(14-17-9-5-4-6-10-17)21(27)24-11-7-8-12-24/h4-6,9-10,15,18-19H,7-8,11-14H2,1-3H3,(H,22,25)(H,23,26)