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

Systemtic Name: 4-(azepan-1-yl)-3-nitro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide Openeye Name: N-allyl-4-(azepan-1-yl)-3-nitro-N-(2-thienylmethyl)benzamide CAS Name: 4-(1-azepanyl)-3-nitro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide IUPAC Name: 4-(azepan-1-yl)-3-nitro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)benzamide Traditional Name: N-allyl-4-(azepan-1-yl)-3-nitro-N-(2-thenyl)benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-2-11-23(16-18-8-7-14-28-18)21(25)17-9-10-19(20(15-17)24(26)27)22-12-5-3-4-6-13-22/h2,7-10,14-15H,1,3-6,11-13,16H2