ethyl N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]phenyl]carbamate

Systemtic Name: ethyl N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]phenyl]carbamate Openeye Name: ethyl N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]carbamoyl]phenyl]carbamate CAS Name: N-[3-[[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-oxomethyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]carbamoyl]phenyl]carbamate Traditional Name: N-[3-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]carbamoyl]phenyl]carbamic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=CC(=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)NC1=CC=CC(=C1)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H24N4O3S/c1-3-28-21(27)22-15-8-6-7-14(13-15)20(26)25-18(11-12-29-2)19-23-16-9-4-5-10-17(16)24-19/h4-10,13,18H,3,11-12H2,1-2H3,(H,22,27)(H,23,24)(H,25,26)/t18-/m0/s1