N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(4-bromophenyl)thiazol-2-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[4-(4-bromophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(4-bromophenyl)thiazol-2-yl]thiocarbamoyl]-piperonylamide Formula: C18H12BrN3O3S2 MolecularWeight: 462.34018

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H12BrN3O3S2/c19-12-4-1-10(2-5-12)13-8-27-18(20-13)22-17(26)21-16(23)11-3-6-14-15(7-11)25-9-24-14/h1-8H,9H2,(H2,20,21,22,23,26)