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

Systemtic Name: 3-bromanyl-N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C)Br)NC(=O)C3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)C)Br)NC(=O)C3CC3

InChI

InChI=1S/C20H20BrN3O2S/c1-11-3-5-14(9-16(11)21)19(26)24-20(27)22-15-8-4-12(2)17(10-15)23-18(25)13-6-7-13/h3-5,8-10,13H,6-7H2,1-2H3,(H,23,25)(H2,22,24,26,27)