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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl

InChI

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