N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioyl]-3-isopropoxy-benzamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoyl]-3-isopropoxy-benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-13(2)28-17-7-4-6-16(12-17)21(27)25-22(29)24-19-9-5-8-18(14(19)3)23-20(26)15-10-11-15/h4-9,12-13,15H,10-11H2,1-3H3,(H,23,26)(H2,24,25,27,29)