4-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-yl-ethyl]amino]-3-nitro-benzamide

Systemtic Name: 4-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-yl-ethyl]amino]-3-nitro-benzamide Openeye Name: 4-[[(2R)-2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]amino]-3-nitro-benzamide CAS Name: 4-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-3-nitrobenzamide IUPAC Name: 4-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-3-nitrobenzamide Traditional Name: 4-[[(2R)-2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]amino]-3-nitro-benzamide Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(CNC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)[C@H](CNC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C21H18N4O3S/c22-21(26)13-7-8-18(19(10-13)25(27)28)24-12-16(20-6-3-9-29-20)15-11-23-17-5-2-1-4-14(15)17/h1-11,16,23-24H,12H2,(H2,22,26)/t16-/m0/s1