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

Systemtic Name: N-(3-ethoxypropyl)-N-[2-[(3-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-4-nitro-benzamide Openeye Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-(3-ethoxypropyl)-4-nitro-benzamide CAS Name: N-(3-ethoxypropyl)-N-[2-[(3-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-4-nitrobenzamide IUPAC Name: N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)-4-nitrobenzamide Traditional Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-(3-ethoxypropyl)-4-nitro-benzamide Formula: C27H31N3O5S MolecularWeight: 509.61714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O5S/c1-3-35-16-7-15-28(27(32)23-10-12-24(13-11-23)30(33)34)20-26(31)29(18-22-8-5-4-6-9-22)19-25-21(2)14-17-36-25/h4-6,8-14,17H,3,7,15-16,18-20H2,1-2H3