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

Systemtic Name: 4-methyl-N-[2-[(3-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-3-nitro-N-propyl-benzamide Openeye Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-4-methyl-3-nitro-N-propyl-benzamide CAS Name: 4-methyl-N-[2-[(3-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-3-nitro-N-propylbenzamide IUPAC Name: N-[2-[benzyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-3-nitro-N-propylbenzamide Traditional Name: N-[2-[benzyl-[(3-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-4-methyl-3-nitro-N-propyl-benzamide Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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