N-(2-chloranyl-5-nitro-phenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]propionamide Formula: C18H17ClN4O4S MolecularWeight: 420.86998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClN4O4S/c1-3-27-12-5-7-14-16(9-12)22-18(21-14)28-10(2)17(24)20-15-8-11(23(25)26)4-6-13(15)19/h4-10H,3H2,1-2H3,(H,20,24)(H,21,22)