S-(1,3-benzothiazol-2-ylcarbamoylamino) 4-methylbenzenecarbothioate

Systemtic Name: S-(1,3-benzothiazol-2-ylcarbamoylamino) 4-methylbenzenecarbothioate Openeye Name: S-(1,3-benzothiazol-2-ylcarbamoylamino) 4-methylbenzenecarbothioate CAS Name: 4-methylbenzenecarbothioic acid S-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]amino] ester IUPAC Name: S-(1,3-benzothiazol-2-ylcarbamoylamino) 4-methylbenzenecarbothioate Traditional Name: 4-methylthiobenzoic acid S-(1,3-benzothiazol-2-ylcarbamoylamino) ester Formula: C16H13N3O2S2 MolecularWeight: 343.42332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)SNC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)SNC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13N3O2S2/c1-10-6-8-11(9-7-10)14(20)23-19-15(21)18-16-17-12-4-2-3-5-13(12)22-16/h2-9H,1H3,(H2,17,18,19,21)