3-bromanyl-N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C25H30BrN3O3S MolecularWeight: 532.493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)C3CC3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)NC(=O)C3CC3)Br

InChI

InChI=1S/C25H30BrN3O3S/c1-3-4-5-6-14-32-22-13-12-18(15-19(22)26)24(31)29-25(33)28-21-9-7-8-20(16(21)2)27-23(30)17-10-11-17/h7-9,12-13,15,17H,3-6,10-11,14H2,1-2H3,(H,27,30)(H2,28,29,31,33)