4-[2-[[2-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[2-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[2-(azepan-1-yl)anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[2-(1-azepanyl)anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[2-(azepan-1-yl)anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[2-(azepan-1-yl)anilino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c22-21(27)15-9-10-19(18(13-15)25(28)29)30-14-20(26)23-16-7-3-4-8-17(16)24-11-5-1-2-6-12-24/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H2,22,27)(H,23,26)