N-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-piperonylamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C18H17N3O4S2/c19-15(22)14-10-3-1-2-4-13(10)27-17(14)21-18(26)20-16(23)9-5-6-11-12(7-9)25-8-24-11/h5-7H,1-4,8H2,(H2,19,22)(H2,20,21,23,26)