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

Systemtic Name: 4-chloranyl-N-cyclohexyl-3-nitro-N-[2-oxidanylidene-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]benzamide Openeye Name: N-[2-[benzyl(2-thienylmethyl)amino]-2-oxo-ethyl]-4-chloro-N-cyclohexyl-3-nitro-benzamide CAS Name: 4-chloro-N-cyclohexyl-3-nitro-N-[2-oxo-2-[(phenylmethyl)-(thiophen-2-ylmethyl)amino]ethyl]benzamide IUPAC Name: N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-chloro-N-cyclohexyl-3-nitrobenzamide Traditional Name: N-[2-[benzyl(2-thenyl)amino]-2-keto-ethyl]-4-chloro-N-cyclohexyl-3-nitro-benzamide Formula: C27H28ClN3O4S MolecularWeight: 526.04692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N(CC(=O)N(CC2=CC=CC=C2)CC3=CC=CS3)C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H28ClN3O4S/c28-24-14-13-21(16-25(24)31(34)35)27(33)30(22-10-5-2-6-11-22)19-26(32)29(18-23-12-7-15-36-23)17-20-8-3-1-4-9-20/h1,3-4,7-9,12-16,22H,2,5-6,10-11,17-19H2