1-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]-3-phenethyl-thiourea

Systemtic Name: 1-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]-3-phenethyl-thiourea Openeye Name: 1-[(1S)-1-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methyl-butyl]-3-phenethyl-thiourea CAS Name: 1-[(2S)-1-[(2S)-2-cyano-1-pyrrolidinyl]-3-methyl-1-oxopentan-2-yl]-3-phenethylthiourea IUPAC Name: 1-[(2S)-1-[(2S)-2-cyanopyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-phenethylthiourea Traditional Name: 1-[(1S)-1-[(2S)-2-cyanopyrrolidine-1-carbonyl]-2-methyl-butyl]-3-phenethyl-thiourea Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C#N)NC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)[C@@H](C(=O)N1CCC[C@H]1C#N)NC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C20H28N4OS/c1-3-15(2)18(19(25)24-13-7-10-17(24)14-21)23-20(26)22-12-11-16-8-5-4-6-9-16/h4-6,8-9,15,17-18H,3,7,10-13H2,1-2H3,(H2,22,23,26)/t15?,17-,18-/m0/s1