4-(azepan-1-yl)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-nitro-benzamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3S/c27-22(23-12-11-21-24-17-7-3-4-8-20(17)30-21)16-9-10-18(19(15-16)26(28)29)25-13-5-1-2-6-14-25/h3-4,7-10,15H,1-2,5-6,11-14H2,(H,23,27)