2-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[4-[(4-methoxyphenyl)thio]-1-oxobutyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[4-(4-methoxyphenyl)sulfanylbutanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[4-[(4-methoxyphenyl)thio]butanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N

InChI

InChI=1S/C21H26N2O3S2/c1-26-14-9-11-15(12-10-14)27-13-5-8-18(24)23-21-19(20(22)25)16-6-3-2-4-7-17(16)28-21/h9-12H,2-8,13H2,1H3,(H2,22,25)(H,23,24)