N-(4-ethoxyphenyl)-3-[(4-oxidanylidene-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(4-ethoxyphenyl)-3-[(4-oxidanylidene-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: 3-[(3-allyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(4-ethoxyphenyl)propanamide CAS Name: N-(4-ethoxyphenyl)-3-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(4-ethoxyphenyl)-3-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: 3-[(3-allyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-p-phenetyl-propionamide Formula: C24H27N3O3S2 MolecularWeight: 469.61948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C

InChI

InChI=1S/C24H27N3O3S2/c1-3-14-27-23(29)21-18-7-5-6-8-19(18)32-22(21)26-24(27)31-15-13-20(28)25-16-9-11-17(12-10-16)30-4-2/h3,9-12H,1,4-8,13-15H2,2H3,(H,25,28)