2-[(2-aminophenyl)carbonylamino]-N-(1,3-benzodioxol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(2-aminophenyl)carbonylamino]-N-(1,3-benzodioxol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2-aminobenzoyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(2-aminophenyl)-oxomethyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2-aminobenzoyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(anthraniloylamino)-N-piperonyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3N)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3N)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H23N3O4S/c25-17-7-3-1-5-15(17)22(28)27-24-21(16-6-2-4-8-20(16)32-24)23(29)26-12-14-9-10-18-19(11-14)31-13-30-18/h1,3,5,7,9-11H,2,4,6,8,12-13,25H2,(H,26,29)(H,27,28)