N-(2-methylbutyl)-N-[2-[(5-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-(2-methylbutyl)-N-[2-[(5-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-(2-methylbutyl)-3-nitro-benzamide CAS Name: N-(2-methylbutyl)-N-[2-[(5-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylbutyl)-3-nitrobenzamide Traditional Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-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=C(S2)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)CN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=C(S2)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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