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

Systemtic Name: 4-methyl-N-(2-methylpropyl)-N-[2-[(3-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-isobutyl-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-N-(2-methylpropyl)-N-[2-[(3-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)-3-nitrobenzamide Traditional Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-isobutyl-4-methyl-3-nitro-benzamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC(C)C)CC(=O)N(CC2=CC=CC=C2)CC3=C(C=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC(C)C)CC(=O)N(CC2=CC=CC=C2)CC3=C(C=CS3)C)[N+](=O)[O-]

InChI

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