ethyl 2-[(4-oxidanylidene-1H-quinazolin-2-yl)carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-oxidanylidene-1H-quinazolin-2-yl)carbothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-oxo-1H-quinazoline-2-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-oxo-1H-quinazolin-2-yl)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-oxo-1H-quinazoline-2-carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-keto-1H-quinazoline-2-carbothioyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H19N3O3S2/c1-2-26-20(25)15-12-8-4-6-10-14(12)28-19(15)23-18(27)16-21-13-9-5-3-7-11(13)17(24)22-16/h3,5,7,9H,2,4,6,8,10H2,1H3,(H,23,27)(H,21,22,24)