N-[[5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: N-[[5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[4-(4-isobutylphenyl)-5-methyl-thiazol-2-yl]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[[5-methyl-4-[4-(2-methylpropyl)phenyl]-2-thiazolyl]amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[4-(4-isobutylphenyl)-5-methyl-thiazol-2-yl]thiocarbamoyl]nicotinamide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=S)NC(=O)C2=CN=CC=C2)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=C(N=C(S1)NC(=S)NC(=O)C2=CN=CC=C2)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C21H22N4OS2/c1-13(2)11-15-6-8-16(9-7-15)18-14(3)28-21(23-18)25-20(27)24-19(26)17-5-4-10-22-12-17/h4-10,12-13H,11H2,1-3H3,(H2,23,24,25,26,27)