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

Systemtic Name: 3-bromanyl-N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)C3CC3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)C3CC3)Br

InChI

InChI=1S/C21H22BrN3O3S/c1-3-28-18-9-7-14(10-16(18)22)20(27)25-21(29)23-15-8-4-12(2)17(11-15)24-19(26)13-5-6-13/h4,7-11,13H,3,5-6H2,1-2H3,(H,24,26)(H2,23,25,27,29)