2-butyl-1,3-bis(oxidanylidene)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)isoindole-5-carboxamide

Systemtic Name: 2-butyl-1,3-bis(oxidanylidene)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)isoindole-5-carboxamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-2-butyl-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-1,3-dioxo-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-5-isoindolecarboxamide IUPAC Name: 2-butyl-1,3-dioxo-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)isoindole-5-carboxamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-butyl-1,3-diketo-isoindoline-5-carboxamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NN=C(S3)SCC=C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NN=C(S3)SCC=C

InChI

InChI=1S/C18H18N4O3S2/c1-3-5-8-22-15(24)12-7-6-11(10-13(12)16(22)25)14(23)19-17-20-21-18(27-17)26-9-4-2/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,19,20,23)