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

Systemtic Name: 4-methyl-N-(2-methylbutyl)-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-methyl-N-(2-methylbutyl)-3-nitro-benzamide CAS Name: 4-methyl-N-(2-methylbutyl)-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-methyl-N-(2-methylbutyl)-3-nitrobenzamide Traditional Name: N-[2-[benzyl(2-thenyl)amino]-2-keto-ethyl]-4-methyl-N-(2-methylbutyl)-3-nitro-benzamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c1-4-20(2)16-29(27(32)23-13-12-21(3)25(15-23)30(33)34)19-26(31)28(18-24-11-8-14-35-24)17-22-9-6-5-7-10-22/h5-15,20H,4,16-19H2,1-3H3