N-[2-[4-[(2-methoxy-5-methyl-phenyl)carbothioylamino]-3-nitro-phenyl]-2-methyl-propyl]methanamide

Systemtic Name: N-[2-[4-[(2-methoxy-5-methyl-phenyl)carbothioylamino]-3-nitro-phenyl]-2-methyl-propyl]methanamide Openeye Name: N-[2-[4-[(2-methoxy-5-methyl-benzenecarbothioyl)amino]-3-nitro-phenyl]-2-methyl-propyl]formamide CAS Name: N-[2-[4-[[(2-methoxy-5-methylphenyl)-sulfanylidenemethyl]amino]-3-nitrophenyl]-2-methylpropyl]formamide IUPAC Name: N-[2-[4-[(2-methoxy-5-methylbenzenecarbothioyl)amino]-3-nitrophenyl]-2-methylpropyl]formamide Traditional Name: N-[2-[4-[(2-methoxy-5-methyl-thiobenzoyl)amino]-3-nitro-phenyl]-2-methyl-propyl]formamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=S)NC2=C(C=C(C=C2)C(C)(C)CNC=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=S)NC2=C(C=C(C=C2)C(C)(C)CNC=O)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c1-13-5-8-18(27-4)15(9-13)19(28)22-16-7-6-14(10-17(16)23(25)26)20(2,3)11-21-12-24/h5-10,12H,11H2,1-4H3,(H,21,24)(H,22,28)