N-butyl-4-methyl-N-[2-[(5-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: N-butyl-4-methyl-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-butyl-4-methyl-3-nitro-benzamide CAS Name: N-butyl-4-methyl-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-butyl-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-butyl-4-methyl-3-nitro-benzamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c1-4-5-15-28(27(32)23-13-11-20(2)25(16-23)30(33)34)19-26(31)29(17-22-9-7-6-8-10-22)18-24-14-12-21(3)35-24/h6-14,16H,4-5,15,17-19H2,1-3H3