5-bromanyl-2-methoxy-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-benzamide Openeye Name: 5-bromo-2-methoxy-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-methyl-benzamide CAS Name: 5-bromo-2-methoxy-N-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: 5-bromo-2-methoxy-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]-3-methylbenzamide Traditional Name: 5-bromo-2-methoxy-N-[(6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-methyl-benzamide Formula: C18H16BrN3O3S2 MolecularWeight: 466.37194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C=C3)OC)OC

InChI

InChI=1S/C18H16BrN3O3S2/c1-9-6-10(19)7-12(15(9)25-3)16(23)21-17(26)22-18-20-13-5-4-11(24-2)8-14(13)27-18/h4-8H,1-3H3,(H2,20,21,22,23,26)