4-(azepan-1-yl)-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide Openeye Name: 4-(azepan-1-yl)-N-(2-methoxyethyl)-3-nitro-N-(2-thienylmethyl)benzamide CAS Name: 4-(1-azepanyl)-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide IUPAC Name: 4-(azepan-1-yl)-N-(2-methoxyethyl)-3-nitro-N-(thiophen-2-ylmethyl)benzamide Traditional Name: 4-(azepan-1-yl)-N-(2-methoxyethyl)-3-nitro-N-(2-thenyl)benzamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=CS1)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

COCCN(CC1=CC=CS1)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O4S/c1-28-13-12-23(16-18-7-6-14-29-18)21(25)17-8-9-19(20(15-17)24(26)27)22-10-4-2-3-5-11-22/h6-9,14-15H,2-5,10-13,16H2,1H3