ethyl 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)benzoate CAS Name: 4-[[sulfanylidene-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylcarbamothioylamino)benzoate Traditional Name: 4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylthiocarbamoylamino)benzoic acid ethyl ester Formula: C17H19N3O2S2 MolecularWeight: 361.48166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2S2/c1-2-22-15(21)11-7-9-12(10-8-11)18-16(23)20-17-19-13-5-3-4-6-14(13)24-17/h7-10H,2-6H2,1H3,(H2,18,19,20,23)