2-[(3-cyanophenyl)carbonylamino]-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(3-cyanophenyl)carbonylamino]-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3-cyanobenzoyl)amino]-N-(3-methoxypropyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(3-cyanophenyl)-oxomethyl]amino]-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3-cyanobenzoyl)amino]-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(3-cyanobenzoyl)amino]-N-(3-methoxypropyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

COCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H23N3O3S/c1-27-11-5-10-23-20(26)18-16-8-2-3-9-17(16)28-21(18)24-19(25)15-7-4-6-14(12-15)13-22/h4,6-7,12H,2-3,5,8-11H2,1H3,(H,23,26)(H,24,25)