methyl 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]benzoate Openeye Name: methyl 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)carbamothioylamino]benzoate Traditional Name: 4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)thiocarbamoylamino]benzoic acid methyl ester Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=S)NC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C18H17N3O2S2/c1-10-8-11(2)15-14(9-10)25-18(20-15)21-17(24)19-13-6-4-12(5-7-13)16(22)23-3/h4-9H,1-3H3,(H2,19,20,21,24)