N-(4-bromophenyl)-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-bromophenyl)-2-[5-(4-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: 2-[3-allyl-4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(4-bromophenyl)propanamide CAS Name: N-(4-bromophenyl)-2-[[5-(4-methylphenyl)-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl]thio]propanamide IUPAC Name: N-(4-bromophenyl)-2-[5-(4-methylphenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide Traditional Name: 2-[[3-allyl-4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-2-yl]thio]-N-(4-bromophenyl)propionamide Formula: C25H22BrN3O2S2 MolecularWeight: 540.49508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC(C)C(=O)NC4=CC=C(C=C4)Br)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C(=N3)SC(C)C(=O)NC4=CC=C(C=C4)Br)CC=C

InChI

InChI=1S/C25H22BrN3O2S2/c1-4-13-29-24(31)21-20(17-7-5-15(2)6-8-17)14-32-23(21)28-25(29)33-16(3)22(30)27-19-11-9-18(26)10-12-19/h4-12,14,16H,1,13H2,2-3H3,(H,27,30)