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

Systemtic Name: 2-[3-(2-chlorophenyl)prop-2-enoylamino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-allyl-2-[3-(2-chlorophenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(2-chlorophenyl)prop-2-enoylamino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-allyl-2-[[3-(2-chlorophenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

C=CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-2-13-23-20(26)19-15-8-4-6-10-17(15)27-21(19)24-18(25)12-11-14-7-3-5-9-16(14)22/h2-3,5,7,9,11-12H,1,4,6,8,10,13H2,(H,23,26)(H,24,25)