ethyl 4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioylamino]benzoate Traditional Name: 4-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NC3=C(S2)CC(CC3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NC3=C(S2)CC(CC3)C

InChI

InChI=1S/C18H21N3O2S2/c1-3-23-16(22)12-5-7-13(8-6-12)19-17(24)21-18-20-14-9-4-11(2)10-15(14)25-18/h5-8,11H,3-4,9-10H2,1-2H3,(H2,19,20,21,24)