3-bromanyl-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[(4-methoxy-2-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])Br

InChI

InChI=1S/C20H22BrN3O5S/c1-12(2)8-9-29-18-7-4-13(10-15(18)21)19(25)23-20(30)22-16-6-5-14(28-3)11-17(16)24(26)27/h4-7,10-12H,8-9H2,1-3H3,(H2,22,23,25,30)