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

Systemtic Name: 4-methyl-N-[2-[(3-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-(oxolan-2-ylmethyl)benzamide Openeye Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 4-methyl-N-[2-[(3-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-3-nitro-N-(2-oxolanylmethyl)benzamide IUPAC Name: N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide Traditional Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-4-methyl-3-nitro-N-(tetrahydrofurfuryl)benzamide Formula: C28H31N3O5S MolecularWeight: 521.62784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC2CCCO2)CC(=O)N(CC3=CC=CC=C3)CC4=C(C=CS4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC2CCCO2)CC(=O)N(CC3=CC=CC=C3)CC4=C(C=CS4)C)[N+](=O)[O-]

InChI

InChI=1S/C28H31N3O5S/c1-20-10-11-23(15-25(20)31(34)35)28(33)30(17-24-9-6-13-36-24)19-27(32)29(16-22-7-4-3-5-8-22)18-26-21(2)12-14-37-26/h3-5,7-8,10-12,14-15,24H,6,9,13,16-19H2,1-2H3