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

Systemtic Name: 3-bromanyl-N-[[4-(dipropylcarbamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[4-(dipropylcarbamoyl)phenyl]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[4-[(dipropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[4-(dipropylcarbamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[4-(dipropylcarbamoyl)phenyl]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C26H34BrN3O3S MolecularWeight: 548.53546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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