3-methyl-N-(phenylmethyl)-N-propan-2-yl-2-[(4-sulfanylpyrrolidin-2-yl)methylamino]pentanamide

Systemtic Name: 3-methyl-N-(phenylmethyl)-N-propan-2-yl-2-[(4-sulfanylpyrrolidin-2-yl)methylamino]pentanamide Openeye Name: N-benzyl-N-isopropyl-3-methyl-2-[(4-sulfanylpyrrolidin-2-yl)methylamino]pentanamide CAS Name: 2-[(4-mercapto-2-pyrrolidinyl)methylamino]-3-methyl-N-(phenylmethyl)-N-propan-2-ylpentanamide IUPAC Name: N-benzyl-3-methyl-N-propan-2-yl-2-[(4-sulfanylpyrrolidin-2-yl)methylamino]pentanamide Traditional Name: N-benzyl-N-isopropyl-2-[(4-mercaptopyrrolidin-2-yl)methylamino]-3-methyl-valeramide Formula: C21H35N3OS MolecularWeight: 377.5871

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(CC1=CC=CC=C1)C(C)C)NCC2CC(CN2)S

Isomeric SMILES

CCC(C)C(C(=O)N(CC1=CC=CC=C1)C(C)C)NCC2CC(CN2)S

InChI

InChI=1S/C21H35N3OS/c1-5-16(4)20(23-12-18-11-19(26)13-22-18)21(25)24(15(2)3)14-17-9-7-6-8-10-17/h6-10,15-16,18-20,22-23,26H,5,11-14H2,1-4H3