(2S)-2-(aminocarbonylamino)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methyl-butanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methyl-butanamide Openeye Name: (2S)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methyl-2-ureido-butanamide CAS Name: (2S)-2-(carbamoylamino)-N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-methylbutanamide IUPAC Name: (2S)-2-(carbamoylamino)-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methylbutanamide Traditional Name: (2S)-N-[2-[(2-cyanobenzyl)thio]ethyl]-3-methyl-2-ureido-butyramide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCSCC1=CC=CC=C1C#N)NC(=O)N

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCSCC1=CC=CC=C1C#N)NC(=O)N

InChI

InChI=1S/C16H22N4O2S/c1-11(2)14(20-16(18)22)15(21)19-7-8-23-10-13-6-4-3-5-12(13)9-17/h3-6,11,14H,7-8,10H2,1-2H3,(H,19,21)(H3,18,20,22)/t14-/m0/s1