2-[(3,4-dimethoxyphenyl)carbonylamino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonylamino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-allyl-2-[(3,4-dimethoxybenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3,4-dimethoxybenzoyl)amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-allyl-2-(veratroylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC=C)OC

InChI

InChI=1S/C21H24N2O4S/c1-4-11-22-20(25)18-14-7-5-6-8-17(14)28-21(18)23-19(24)13-9-10-15(26-2)16(12-13)27-3/h4,9-10,12H,1,5-8,11H2,2-3H3,(H,22,25)(H,23,24)