2-[2-(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 2-[2-(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoylamino]-N-(phenylmethyl)benzamide Openeye Name: 2-[[2-(3-allyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]-N-benzyl-benzamide CAS Name: 2-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-thieno[3,2-d]pyrimidinyl)thio]ethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[[2-(4-oxo-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: 2-[[2-[(3-allyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]acetyl]amino]-N-benzyl-benzamide Formula: C25H22N4O3S2 MolecularWeight: 490.59718

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CS2)N=C1SCC(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3S2/c1-2-13-29-24(32)22-20(12-14-33-22)28-25(29)34-16-21(30)27-19-11-7-6-10-18(19)23(31)26-15-17-8-4-3-5-9-17/h2-12,14H,1,13,15-16H2,(H,26,31)(H,27,30)