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

Systemtic Name: N-[(4-chloranyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[(4-chloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(4-chloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C21H22ClN3O4S2 MolecularWeight: 480.00008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O4S2/c1-4-27-14-10-12(11-15(28-5-2)18(14)29-6-3)19(26)24-20(30)25-21-23-17-13(22)8-7-9-16(17)31-21/h7-11H,4-6H2,1-3H3,(H2,23,24,25,26,30)