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

Systemtic Name: N-butyl-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-3-nitro-benzamide CAS Name: N-butyl-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-3-nitrobenzamide Traditional Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-butyl-3-nitro-benzamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O4S/c1-3-4-15-27(26(31)22-11-8-12-23(16-22)29(32)33)19-25(30)28(17-21-9-6-5-7-10-21)18-24-14-13-20(2)34-24/h5-14,16H,3-4,15,17-19H2,1-2H3