N-(cyclopropylmethoxy)-2-[(2-methyl-4-methylsulfanyl-phenyl)amino]-4-nitro-benzamide

Systemtic Name: N-(cyclopropylmethoxy)-2-[(2-methyl-4-methylsulfanyl-phenyl)amino]-4-nitro-benzamide Openeye Name: N-(cyclopropylmethoxy)-2-(2-methyl-4-methylsulfanyl-anilino)-4-nitro-benzamide CAS Name: N-(cyclopropylmethoxy)-2-[2-methyl-4-(methylthio)anilino]-4-nitrobenzamide IUPAC Name: N-(cyclopropylmethoxy)-2-(2-methyl-4-methylsulfanylanilino)-4-nitrobenzamide Traditional Name: N-(cyclopropylmethoxy)-2-[2-methyl-4-(methylthio)anilino]-4-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NOCC3CC3

Isomeric SMILES

CC1=C(C=CC(=C1)SC)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)NOCC3CC3

InChI

InChI=1S/C19H21N3O4S/c1-12-9-15(27-2)6-8-17(12)20-18-10-14(22(24)25)5-7-16(18)19(23)21-26-11-13-3-4-13/h5-10,13,20H,3-4,11H2,1-2H3,(H,21,23)