2-[methyl-[(6-nitro-3-phenyl-2-sulfanylidene-benzimidazol-1-yl)methyl]amino]-N-propyl-ethanamide

Systemtic Name: 2-[methyl-[(6-nitro-3-phenyl-2-sulfanylidene-benzimidazol-1-yl)methyl]amino]-N-propyl-ethanamide Openeye Name: 2-[methyl-[(6-nitro-3-phenyl-2-thioxo-benzimidazol-1-yl)methyl]amino]-N-propyl-acetamide CAS Name: 2-[methyl-[(6-nitro-3-phenyl-2-sulfanylidene-1-benzimidazolyl)methyl]amino]-N-propylacetamide IUPAC Name: 2-[methyl-[(6-nitro-3-phenyl-2-sulfanylidenebenzimidazol-1-yl)methyl]amino]-N-propylacetamide Traditional Name: 2-[methyl-[(6-nitro-3-phenyl-2-thioxo-benzimidazol-1-yl)methyl]amino]-N-propyl-acetamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)CN1C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=S)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)CN(C)CN1C2=C(C=CC(=C2)[N+](=O)[O-])N(C1=S)C3=CC=CC=C3

InChI

InChI=1S/C20H23N5O3S/c1-3-11-21-19(26)13-22(2)14-23-18-12-16(25(27)28)9-10-17(18)24(20(23)29)15-7-5-4-6-8-15/h4-10,12H,3,11,13-14H2,1-2H3,(H,21,26)