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

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)-2-methyl-phenyl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[3-[[cyclopropyl(oxo)methyl]amino]-2-methylanilino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: N-[[3-(cyclopropanecarbonylamino)-2-methyl-phenyl]thiocarbamoyl]-4-isopropyl-benzamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-13(2)15-7-9-17(10-8-15)21(27)25-22(28)24-19-6-4-5-18(14(19)3)23-20(26)16-11-12-16/h4-10,13,16H,11-12H2,1-3H3,(H,23,26)(H2,24,25,27,28)