2-[2-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-5-phenyl-thiophene-3-carboxamide

Systemtic Name: 2-[2-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-5-phenyl-thiophene-3-carboxamide Openeye Name: 2-[[2-(5,6-dimethyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5-phenyl-thiophene-3-carboxamide CAS Name: 2-[[2-[(5,6-dimethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxamide IUPAC Name: 2-[[2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide Traditional Name: 2-[[2-[(4-keto-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-5-phenyl-thiophene-3-carboxamide Formula: C27H22N4O3S3 MolecularWeight: 546.68358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N)C5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N)C5=CC=CC=C5)C

InChI

InChI=1S/C27H22N4O3S3/c1-15-16(2)36-25-22(15)26(34)31(18-11-7-4-8-12-18)27(30-25)35-14-21(32)29-24-19(23(28)33)13-20(37-24)17-9-5-3-6-10-17/h3-13H,14H2,1-2H3,(H2,28,33)(H,29,32)