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

Systemtic Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-piperonylamide Formula: C18H15N3O3S2 MolecularWeight: 385.46

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O3S2/c19-8-12-11-3-1-2-4-15(11)26-17(12)21-18(25)20-16(22)10-5-6-13-14(7-10)24-9-23-13/h5-7H,1-4,9H2,(H2,20,21,22,25)