4-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-11(2)14-6-4-5-12(3)18(14)21-17(23)10-27-16-8-7-13(19(20)24)9-15(16)22(25)26/h4-9,11H,10H2,1-3H3,(H2,20,24)(H,21,23)