N-[[4-(carbamothioylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-(carbamothioylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(carbamothioylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-(carbamothioylamino)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(carbamothioylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(4-thioureidophenyl)thiocarbamoyl]-piperonylamide Formula: C16H14N4O3S2 MolecularWeight: 374.43736

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)NC(=S)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)NC(=S)N

InChI

InChI=1S/C16H14N4O3S2/c17-15(24)18-10-2-4-11(5-3-10)19-16(25)20-14(21)9-1-6-12-13(7-9)23-8-22-12/h1-7H,8H2,(H3,17,18,24)(H2,19,20,21,25)