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

Systemtic Name: 3-(aminocarbonylamino)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3-bromophenyl)propanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3-bromophenyl)-3-ureido-propanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(3-bromophenyl)-3-(carbamoylamino)propanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(3-bromophenyl)-3-(carbamoylamino)propanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(3-bromophenyl)-3-ureido-propionamide Formula: C21H24BrN5O2S MolecularWeight: 490.41656

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CC(C3=CC(=CC=C3)Br)NC(=O)N

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CC(C3=CC(=CC=C3)Br)NC(=O)N

InChI

InChI=1S/C21H24BrN5O2S/c1-30-10-9-17(20-25-15-7-2-3-8-16(15)26-20)24-19(28)12-18(27-21(23)29)13-5-4-6-14(22)11-13/h2-8,11,17-18H,9-10,12H2,1H3,(H,24,28)(H,25,26)(H3,23,27,29)