3-bromanyl-N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[(6-ethoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-methoxy-benzamide Formula: C18H16BrN3O3S2 MolecularWeight: 466.37194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)Br

InChI

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