(2S)-2-(aminocarbonylamino)-N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-methylsulfanyl-2-ureido-butanamide CAS Name: (2S)-2-(carbamoylamino)-N-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-(carbamoylamino)-N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-methylsulfanylbutanamide Traditional Name: (2S)-N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-4-(methylthio)-2-ureido-butyramide Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)NC(=O)C(CCSC)NC(=O)N)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)NC(=O)[C@H](CCSC)NC(=O)N)C

InChI

InChI=1S/C18H24N4O2S/c1-12-4-5-13(2)22(12)15-8-6-14(7-9-15)20-17(23)16(10-11-25-3)21-18(19)24/h4-9,16H,10-11H2,1-3H3,(H,20,23)(H3,19,21,24)/t16-/m0/s1