ethyl 6-(2-phenyl-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl)hexanoate

Systemtic Name: ethyl 6-(2-phenyl-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl)hexanoate Openeye Name: ethyl 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl)hexanoate CAS Name: 6-(2-phenyl-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl)hexanoic acid ethyl ester IUPAC Name: ethyl 6-(2-phenyl-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl)hexanoate Traditional Name: 6-(2-phenyl-4-thioxo-5,6,7,8-tetrahydroquinazolin-1-yl)hexanoic acid ethyl ester Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCN1C2=C(CCCC2)C(=S)N=C1C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCCN1C2=C(CCCC2)C(=S)N=C1C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2S/c1-2-26-20(25)15-7-4-10-16-24-19-14-9-8-13-18(19)22(27)23-21(24)17-11-5-3-6-12-17/h3,5-6,11-12H,2,4,7-10,13-16H2,1H3