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

Systemtic Name: 5-bromanyl-N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Openeye Name: 5-bromo-N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-isopentyloxy-benzamide CAS Name: 5-bromo-N-[[3-[(dipropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-(3-methylbutoxy)benzamide IUPAC Name: 5-bromo-N-[[3-(dipropylcarbamoyl)phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-N-[[3-(dipropylcarbamoyl)phenyl]thiocarbamoyl]-2-isoamoxy-benzamide Formula: C26H34BrN3O3S MolecularWeight: 548.53546

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

InChI

InChI=1S/C26H34BrN3O3S/c1-5-13-30(14-6-2)25(32)19-8-7-9-21(16-19)28-26(34)29-24(31)22-17-20(27)10-11-23(22)33-15-12-18(3)4/h7-11,16-18H,5-6,12-15H2,1-4H3,(H2,28,29,31,34)