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

Systemtic Name: N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C18H16ClN3O3S2 MolecularWeight: 421.92094

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O3S2/c1-9-6-15-12(8-11(9)19)20-18(27-15)22-17(26)21-16(23)10-4-5-13(24-2)14(7-10)25-3/h4-8H,1-3H3,(H2,20,21,22,23,26)