N-butyl-4-chloranyl-3-nitro-N-[2-oxidanylidene-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]benzamide

Systemtic Name: N-butyl-4-chloranyl-3-nitro-N-[2-oxidanylidene-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]benzamide Openeye Name: N-[2-[benzyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-butyl-4-chloro-3-nitro-benzamide CAS Name: N-butyl-4-chloro-3-nitro-N-[2-oxo-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]benzamide IUPAC Name: N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-butyl-4-chloro-3-nitrobenzamide Traditional Name: N-[2-[benzyl(2-thenyl)amino]-2-keto-ethyl]-N-butyl-4-chloro-3-nitro-benzamide Formula: C25H26ClN3O4S MolecularWeight: 500.00964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CS2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CS2)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H26ClN3O4S/c1-2-3-13-27(25(31)20-11-12-22(26)23(15-20)29(32)33)18-24(30)28(17-21-10-7-14-34-21)16-19-8-5-4-6-9-19/h4-12,14-15H,2-3,13,16-18H2,1H3