S-(1,3-benzothiazol-2-ylcarbamoylamino) 3-chloranyl-4-methoxy-benzenecarbothioate

Systemtic Name: S-(1,3-benzothiazol-2-ylcarbamoylamino) 3-chloranyl-4-methoxy-benzenecarbothioate Openeye Name: S-(1,3-benzothiazol-2-ylcarbamoylamino) 3-chloro-4-methoxy-benzenecarbothioate CAS Name: 3-chloro-4-methoxybenzenecarbothioic acid S-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]amino] ester IUPAC Name: S-(1,3-benzothiazol-2-ylcarbamoylamino) 3-chloro-4-methoxybenzenecarbothioate Traditional Name: 3-chloro-4-methoxy-thiobenzoic acid S-(1,3-benzothiazol-2-ylcarbamoylamino) ester Formula: C16H12ClN3O3S2 MolecularWeight: 393.86778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)SNC(=O)NC2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C16H12ClN3O3S2/c1-23-12-7-6-9(8-10(12)17)14(21)25-20-15(22)19-16-18-11-4-2-3-5-13(11)24-16/h2-8H,1H3,(H2,18,19,20,22)