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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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