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

Systemtic Name: N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C19H18ClN3O4S2 MolecularWeight: 451.94692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1Cl)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C19H18ClN3O4S2/c1-9-5-15-12(8-11(9)20)21-19(29-15)23-18(28)22-17(24)10-6-13(25-2)16(27-4)14(7-10)26-3/h5-8H,1-4H3,(H2,21,22,23,24,28)