N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C18H16ClN3O4S2 MolecularWeight: 437.92034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=CC(=C(C=C3S2)OC)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC3=CC(=C(C=C3S2)OC)Cl)OC

InChI

InChI=1S/C18H16ClN3O4S2/c1-24-12-5-4-9(6-14(12)26-3)16(23)21-17(27)22-18-20-11-7-10(19)13(25-2)8-15(11)28-18/h4-8H,1-3H3,(H2,20,21,22,23,27)