N-[4-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]phenyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[4-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]phenyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[4-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]phenyl]thiazole-4-carboxamide CAS Name: N-[4-[[[1-(2,4-dimethylphenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiazolecarboxamide IUPAC Name: N-[4-[1-(2,4-dimethylphenyl)ethylcarbamothioylamino]phenyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[4-[1-(2,4-dimethylphenyl)ethylthiocarbamoylamino]phenyl]thiazole-4-carboxamide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSC=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSC=N3)C

InChI

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