3-nitro-4-[[(R)-(4-propylphenyl)-thiophen-2-yl-methyl]amino]benzamide

Systemtic Name: 3-nitro-4-[[(R)-(4-propylphenyl)-thiophen-2-yl-methyl]amino]benzamide Openeye Name: 3-nitro-4-[[(R)-(4-propylphenyl)-(2-thienyl)methyl]amino]benzamide CAS Name: 3-nitro-4-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]benzamide IUPAC Name: 3-nitro-4-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]benzamide Traditional Name: 3-nitro-4-[[(R)-(4-propylphenyl)-(2-thienyl)methyl]amino]benzamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O3S/c1-2-4-14-6-8-15(9-7-14)20(19-5-3-12-28-19)23-17-11-10-16(21(22)25)13-18(17)24(26)27/h3,5-13,20,23H,2,4H2,1H3,(H2,22,25)/t20-/m1/s1