propyl 4-methyl-3-[4-[(4-methyl-1,2,3-thiadiazol-5-yl)carbamothioylamino]phenyl]benzoate

Systemtic Name: propyl 4-methyl-3-[4-[(4-methyl-1,2,3-thiadiazol-5-yl)carbamothioylamino]phenyl]benzoate Openeye Name: propyl 4-methyl-3-[4-[(4-methylthiadiazol-5-yl)carbamothioylamino]phenyl]benzoate CAS Name: 4-methyl-3-[4-[[[(4-methyl-5-thiadiazolyl)amino]-sulfanylidenemethyl]amino]phenyl]benzoic acid propyl ester IUPAC Name: propyl 4-methyl-3-[4-[(4-methylthiadiazol-5-yl)carbamothioylamino]phenyl]benzoate Traditional Name: 4-methyl-3-[4-[(4-methylthiadiazol-5-yl)thiocarbamoylamino]phenyl]benzoic acid propyl ester Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=C(C=C1)C)C2=CC=C(C=C2)NC(=S)NC3=C(N=NS3)C

Isomeric SMILES

CCCOC(=O)C1=CC(=C(C=C1)C)C2=CC=C(C=C2)NC(=S)NC3=C(N=NS3)C

InChI

InChI=1S/C21H22N4O2S2/c1-4-11-27-20(26)16-6-5-13(2)18(12-16)15-7-9-17(10-8-15)22-21(28)23-19-14(3)24-25-29-19/h5-10,12H,4,11H2,1-3H3,(H2,22,23,28)