methyl 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylcarbamoyl)benzoate CAS Name: 4-[oxo-[[sulfanylidene-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylcarbamoyl)benzoate Traditional Name: 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)CCCC3

InChI

InChI=1S/C17H17N3O3S2/c1-23-15(22)11-8-6-10(7-9-11)14(21)19-16(24)20-17-18-12-4-2-3-5-13(12)25-17/h6-9H,2-5H2,1H3,(H2,18,19,20,21,24)