(2R)-N-(cyclopropylcarbamoyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(cyclopropylcarbamoyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(cyclopropylcarbamoyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-[(cyclopropylamino)-oxomethyl]-2-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: (2R)-N-(cyclopropylcarbamoyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(cyclopropylcarbamoyl)-2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]propionamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)SC2=NC3=CC=CC=C3N2C4=CC=C(C=C4)OC

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CC1)SC2=NC3=CC=CC=C3N2C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H22N4O3S/c1-13(19(26)24-20(27)22-14-7-8-14)29-21-23-17-5-3-4-6-18(17)25(21)15-9-11-16(28-2)12-10-15/h3-6,9-14H,7-8H2,1-2H3,(H2,22,24,26,27)/t13-/m1/s1