2-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

Isomeric SMILES

COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

InChI

InChI=1S/C21H22N4O3S2/c1-28-14-6-4-5-13(11-14)25-10-9-23-21(25)29-12-17(26)24-20-18(19(22)27)15-7-2-3-8-16(15)30-20/h4-6,9-11H,2-3,7-8,12H2,1H3,(H2,22,27)(H,24,26)