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

Systemtic Name: S-(1,3-benzothiazol-2-ylcarbamoylamino) 3,4-dimethoxybenzenecarbothioate Openeye Name: S-(1,3-benzothiazol-2-ylcarbamoylamino) 3,4-dimethoxybenzenecarbothioate CAS Name: 3,4-dimethoxybenzenecarbothioic acid S-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]amino] ester IUPAC Name: S-(1,3-benzothiazol-2-ylcarbamoylamino) 3,4-dimethoxybenzenecarbothioate Traditional Name: 3,4-dimethoxythiobenzoic acid S-(1,3-benzothiazol-2-ylcarbamoylamino) ester Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S2/c1-23-12-8-7-10(9-13(12)24-2)15(21)26-20-16(22)19-17-18-11-5-3-4-6-14(11)25-17/h3-9H,1-2H3,(H2,18,19,20,22)