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

Systemtic Name: 2-[2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(1-amino-4-phenyl-imidazol-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(1-amino-4-phenylimidazol-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(1-amino-4-phenyl-imidazol-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H21N5O2S2 MolecularWeight: 427.54304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=CN3N)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=CN3N)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C20H21N5O2S2/c21-18(27)17-13-8-4-5-9-15(13)29-19(17)24-16(26)11-28-20-23-14(10-25(20)22)12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11,22H2,(H2,21,27)(H,24,26)