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

Systemtic Name: 3-bromanyl-N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoyl]-4-isobutoxy-benzamide Formula: C23H26BrN3O3S MolecularWeight: 504.43984

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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)OCC(C)C)Br)NC(=O)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrN3O3S/c1-13(2)12-30-20-9-7-16(10-18(20)24)22(29)27-23(31)25-17-8-4-14(3)19(11-17)26-21(28)15-5-6-15/h4,7-11,13,15H,5-6,12H2,1-3H3,(H,26,28)(H2,25,27,29,31)