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

Systemtic Name: 3-bromanyl-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-methoxy-benzamide Formula: C20H20BrN3O2S2 MolecularWeight: 478.4257

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C20H20BrN3O2S2/c1-3-4-5-12-6-8-15-17(10-12)28-20(22-15)24-19(27)23-18(25)13-7-9-16(26-2)14(21)11-13/h6-11H,3-5H2,1-2H3,(H2,22,23,24,25,27)