3-bromanyl-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[(2-methoxy-5-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=CC(=C2)[N+](=O)[O-])OC)Br

Isomeric SMILES

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

InChI

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