N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-propoxyphenyl)thiazol-2-yl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[4-(4-propoxyphenyl)-2-thiazolyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-propoxyphenyl)thiazol-2-yl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C21H22N2O2S2/c1-2-11-25-16-9-7-14(8-10-16)17-13-26-21(22-17)23-20(24)19-12-15-5-3-4-6-18(15)27-19/h7-10,12-13H,2-6,11H2,1H3,(H,22,23,24)