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

Systemtic Name: N-[(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C18H16ClN3O2S2 MolecularWeight: 405.92154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O2S2/c1-9-4-5-11(6-10(9)2)16(23)21-17(25)22-18-20-13-7-12(19)14(24-3)8-15(13)26-18/h4-8H,1-3H3,(H2,20,21,22,23,25)