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

Systemtic Name: N-(3-methoxypropyl)-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-(3-methoxypropyl)-3-nitro-benzamide CAS Name: N-(3-methoxypropyl)-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-(3-methoxypropyl)-3-nitrobenzamide Traditional Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-(3-methoxypropyl)-3-nitro-benzamide Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(CCCOC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(CCCOC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H29N3O5S/c1-20-12-13-24(35-20)18-28(17-21-8-4-3-5-9-21)25(30)19-27(14-7-15-34-2)26(31)22-10-6-11-23(16-22)29(32)33/h3-6,8-13,16H,7,14-15,17-19H2,1-2H3