N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide

Systemtic Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: N-[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(4-keto-1H-quinazolin-2-yl)propionamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H20N4O2S/c1-12-6-7-13-15(11-22)21(28-17(13)10-12)25-19(26)9-8-18-23-16-5-3-2-4-14(16)20(27)24-18/h2-5,12H,6-10H2,1H3,(H,25,26)(H,23,24,27)/t12-/m0/s1