(5S)-5-ethyl-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: (5S)-5-ethyl-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (5S)-5-ethyl-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (5S)-5-ethyl-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (5S)-5-ethyl-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (5S)-5-ethyl-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)N(C)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)N(C)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H23N3O2S/c1-3-13-8-9-17-14(10-13)11-18(27-17)21(26)24(2)12-19-22-16-7-5-4-6-15(16)20(25)23-19/h4-7,11,13H,3,8-10,12H2,1-2H3,(H,22,23,25)/t13-/m0/s1