3-(3-methylbutoxy)-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-(3-methylbutoxy)-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-isopentyloxy-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-(3-methylbutoxy)-N-[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-(3-methylbutoxy)-N-[(4-methyl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-isoamoxy-N-[(4-methyl-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-13(2)9-10-27-17-6-4-5-15(11-17)19(24)22-20(28)21-16-8-7-14(3)18(12-16)23(25)26/h4-8,11-13H,9-10H2,1-3H3,(H2,21,22,24,28)