1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[2-(2-methoxyphenoxy)ethyl]urea

Systemtic Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[2-(2-methoxyphenoxy)ethyl]urea Openeye Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[2-(2-methoxyphenoxy)ethyl]urea CAS Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-[2-(2-methoxyphenoxy)ethyl]urea IUPAC Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-[2-(2-methoxyphenoxy)ethyl]urea Traditional Name: 1-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-[2-(2-methoxyphenoxy)ethyl]urea Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCNC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

COC1=CC=CC=C1OCCNC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H26N4O3S/c1-27-18-9-5-6-10-19(18)28-13-12-22-21(26)25-17(11-14-29-2)20-23-15-7-3-4-8-16(15)24-20/h3-10,17H,11-14H2,1-2H3,(H,23,24)(H2,22,25,26)/t17-/m0/s1