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

Systemtic Name: N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(3-nitrophenyl)thiazol-2-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[[4-(3-nitrophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(3-nitrophenyl)thiazol-2-yl]thiocarbamoyl]-piperonylamide Formula: C18H12N4O5S2 MolecularWeight: 428.44168

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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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O5S2/c23-16(11-4-5-14-15(7-11)27-9-26-14)20-17(28)21-18-19-13(8-29-18)10-2-1-3-12(6-10)22(24)25/h1-8H,9H2,(H2,19,20,21,23,28)