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

Systemtic Name: 4-(3-methylbutoxy)-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 4-isopentyloxy-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-(3-methylbutoxy)-N-[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-(3-methylbutoxy)-N-[(4-methyl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-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=C(C=C2)OCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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