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

Systemtic Name: N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(4-methoxyphenyl)thiazol-2-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(4-methoxyphenyl)thiazol-2-yl]thiocarbamoyl]-piperonylamide Formula: C19H15N3O4S2 MolecularWeight: 413.4701

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H15N3O4S2/c1-24-13-5-2-11(3-6-13)14-9-28-19(20-14)22-18(27)21-17(23)12-4-7-15-16(8-12)26-10-25-15/h2-9H,10H2,1H3,(H2,20,21,22,23,27)