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

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioyl]-3-isobutoxy-benzamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoyl]-3-isobutoxy-benzamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-14(2)13-29-19-6-4-5-17(11-19)22(28)26-23(30)24-18-10-7-15(3)20(12-18)25-21(27)16-8-9-16/h4-7,10-12,14,16H,8-9,13H2,1-3H3,(H,25,27)(H2,24,26,28,30)