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

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)-4-methyl-phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]-4-methylanilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)-4-methylphenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: N-[[3-(cyclopropanecarbonylamino)-4-methyl-phenyl]thiocarbamoyl]-2-propoxy-benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)C3CC3

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)C3CC3

InChI

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