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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)OC)OC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=NC3=C(C=C(C=C3S2)OC)OC)Cl

InChI

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