5-bromanyl-N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC)NC(=O)C3CC3

InChI

InChI=1S/C20H20BrN3O3S/c1-11-15(22-18(25)12-6-7-12)4-3-5-16(11)23-20(28)24-19(26)14-10-13(21)8-9-17(14)27-2/h3-5,8-10,12H,6-7H2,1-2H3,(H,22,25)(H2,23,24,26,28)