(2S)-2-(aminocarbonylamino)-N-(2-methyl-1-phenyl-benzimidazol-5-yl)-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-(2-methyl-1-phenyl-benzimidazol-5-yl)-4-methylsulfanyl-butanamide Openeye Name: (2S)-N-(2-methyl-1-phenyl-benzimidazol-5-yl)-4-methylsulfanyl-2-ureido-butanamide CAS Name: (2S)-2-(carbamoylamino)-N-(2-methyl-1-phenyl-5-benzimidazolyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-(carbamoylamino)-N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-methylsulfanylbutanamide Traditional Name: (2S)-N-(2-methyl-1-phenyl-benzimidazol-5-yl)-4-(methylthio)-2-ureido-butyramide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)NC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)NC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C20H23N5O2S/c1-13-22-17-12-14(23-19(26)16(10-11-28-2)24-20(21)27)8-9-18(17)25(13)15-6-4-3-5-7-15/h3-9,12,16H,10-11H2,1-2H3,(H,23,26)(H3,21,24,27)/t16-/m0/s1