3-(aminocarbonylamino)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3-methylphenyl)propanamide

Systemtic Name: 3-(aminocarbonylamino)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3-methylphenyl)propanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(m-tolyl)-3-ureido-propanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(carbamoylamino)-3-(3-methylphenyl)propanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(carbamoylamino)-3-(3-methylphenyl)propanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(m-tolyl)-3-ureido-propionamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)NC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)NC(=O)N

InChI

InChI=1S/C22H27N5O2S/c1-14-6-5-7-15(12-14)19(27-22(23)29)13-20(28)24-18(10-11-30-2)21-25-16-8-3-4-9-17(16)26-21/h3-9,12,18-19H,10-11,13H2,1-2H3,(H,24,28)(H,25,26)(H3,23,27,29)/t18-,19?/m0/s1