2-[[2-(4-but-3-enethioylpiperazin-1-yl)ethylamino]methylidene]-5-(4-chlorophenyl)cyclohexane-1,3-dione

Systemtic Name: 2-[[2-(4-but-3-enethioylpiperazin-1-yl)ethylamino]methylidene]-5-(4-chlorophenyl)cyclohexane-1,3-dione Openeye Name: 2-[[2-(4-but-3-enethioylpiperazin-1-yl)ethylamino]methylene]-5-(4-chlorophenyl)cyclohexane-1,3-dione CAS Name: 5-(4-chlorophenyl)-2-[[2-[4-(1-sulfanylidenebut-3-enyl)-1-piperazinyl]ethylamino]methylidene]cyclohexane-1,3-dione IUPAC Name: 2-[[2-(4-but-3-enethioylpiperazin-1-yl)ethylamino]methylidene]-5-(4-chlorophenyl)cyclohexane-1,3-dione Traditional Name: 2-[[2-(4-but-3-enethioylpiperazino)ethylamino]methylene]-5-(4-chlorophenyl)cyclohexane-1,3-quinone Formula: C23H28ClN3O2S MolecularWeight: 446.00532

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=S)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C=CCC(=S)N1CCN(CC1)CCNC=C2C(=O)CC(CC2=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H28ClN3O2S/c1-2-3-23(30)27-12-10-26(11-13-27)9-8-25-16-20-21(28)14-18(15-22(20)29)17-4-6-19(24)7-5-17/h2,4-7,16,18,25H,1,3,8-15H2