N-[(1S)-1-(6-chloranyl-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(3-oxidanylidenethiomorpholin-4-yl)benzamide

Systemtic Name: N-[(1S)-1-(6-chloranyl-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(3-oxidanylidenethiomorpholin-4-yl)benzamide Openeye Name: N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(3-oxothiomorpholin-4-yl)benzamide CAS Name: N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(3-oxo-4-thiomorpholinyl)benzamide IUPAC Name: N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-methyl-4-(3-oxothiomorpholin-4-yl)benzamide Traditional Name: N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(3-ketothiomorpholin-4-yl)-3-methyl-benzamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(C)C2=NC3=C(N2)C=C(C=C3)Cl)N4CCSCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N[C@@H](C)C2=NC3=C(N2)C=C(C=C3)Cl)N4CCSCC4=O

InChI

InChI=1S/C21H21ClN4O2S/c1-12-9-14(3-6-18(12)26-7-8-29-11-19(26)27)21(28)23-13(2)20-24-16-5-4-15(22)10-17(16)25-20/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,23,28)(H,24,25)/t13-/m0/s1