N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-ethyl-4-oxidanylidene-4aH-quinazolin-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-ethyl-4-oxidanylidene-4aH-quinazolin-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(3-ethyl-4-oxo-4aH-quinazolin-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-ethyl-4-oxo-4aH-quinazolin-3-ium-2-yl)thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-ethyl-4-oxo-4aH-quinazolin-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(3-ethyl-4-keto-4aH-quinazolin-3-ium-2-yl)thio]acetamide Formula: C21H21N4O2S2+ MolecularWeight: 425.54704

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N=C2C=CC=CC2C1=O)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC[N+]1=C(N=C2C=CC=CC2C1=O)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C21H20N4O2S2/c1-2-25-20(27)14-8-3-5-9-16(14)23-21(25)28-12-18(26)24-19-15(11-22)13-7-4-6-10-17(13)29-19/h3,5,8-9,14H,2,4,6-7,10,12H2,1H3/p+1