N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetyl]phenyl]-3-methyl-butyramide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)OC

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C21H23N3O3S/c1-13(2)10-20(26)22-15-6-4-14(5-7-15)19(25)12-28-21-23-17-9-8-16(27-3)11-18(17)24-21/h4-9,11,13H,10,12H2,1-3H3,(H,22,26)(H,23,24)