5-bromanyl-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[[2-[(N-ethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[[2-[ethyl(phenyl)carbamoyl]phenyl]thiocarbamoyl]-2-isoamoxy-benzamide Formula: C28H30BrN3O3S MolecularWeight: 568.5251

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC(C)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC(C)C

InChI

InChI=1S/C28H30BrN3O3S/c1-4-32(21-10-6-5-7-11-21)27(34)22-12-8-9-13-24(22)30-28(36)31-26(33)23-18-20(29)14-15-25(23)35-17-16-19(2)3/h5-15,18-19H,4,16-17H2,1-3H3,(H2,30,31,33,36)