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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[(4-methyl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[(4-methyl-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H22BrN3O4S MolecularWeight: 480.37538

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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)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O4S/c1-12(2)8-9-28-18-7-5-14(10-16(18)21)19(25)23-20(29)22-15-6-4-13(3)17(11-15)24(26)27/h4-7,10-12H,8-9H2,1-3H3,(H2,22,23,25,29)