N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(2-methyl-4-pyrrolidin-1-yl-phenyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-methyl-4-(1-pyrrolidinyl)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-methyl-4-pyrrolidin-1-ylphenyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(2-methyl-4-pyrrolidino-phenyl)-5-nitro-benzothiophene-2-carboxamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O3S/c1-13-10-15(22-8-2-3-9-22)4-6-17(13)21-20(24)19-12-14-11-16(23(25)26)5-7-18(14)27-19/h4-7,10-12H,2-3,8-9H2,1H3,(H,21,24)