(6S)-6-methyl-2-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-6-methyl-2-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-6-methyl-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-6-methyl-2-[[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-6-methyl-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-6-methyl-2-[[2-[(2-methylquinazolin-4-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C21H22N4O2S2/c1-11-7-8-14-16(9-11)29-21(18(14)19(22)27)25-17(26)10-28-20-13-5-3-4-6-15(13)23-12(2)24-20/h3-6,11H,7-10H2,1-2H3,(H2,22,27)(H,25,26)/t11-/m0/s1