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

Systemtic Name: (5S)-N,5-dimethyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (5S)-N,5-dimethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (5S)-N,5-dimethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (5S)-N,5-dimethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (5S)-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N(C)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/c1-12-7-8-16-13(9-12)10-17(26-16)20(25)23(2)11-18-21-15-6-4-3-5-14(15)19(24)22-18/h3-6,10,12H,7-9,11H2,1-2H3,(H,21,22,24)/t12-/m0/s1