4-[2-[[4-[ethyl(propan-2-yl)amino]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[4-[ethyl(propan-2-yl)amino]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[4-[ethyl(isopropyl)amino]anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[4-[ethyl(isopropyl)amino]anilino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(C)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C20H24N4O4S/c1-4-23(13(2)3)16-8-6-15(7-9-16)22-19(25)12-29-18-10-5-14(20(21)26)11-17(18)24(27)28/h5-11,13H,4,12H2,1-3H3,(H2,21,26)(H,22,25)