4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-oxidanylidene-3-piperazin-1-yl-prop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-oxidanylidene-3-piperazin-1-yl-prop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-oxo-3-piperazin-1-yl-prop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-oxo-3-(1-piperazinyl)prop-1-enyl]-5-thieno[2,3-b]pyridinecarbonitrile IUPAC Name: 4-[(4-methyl-1H-indol-5-yl)amino]-2-[(E)-3-oxo-3-piperazin-1-ylprop-1-enyl]thieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 2-[(E)-3-keto-3-piperazino-prop-1-enyl]-4-[(4-methyl-1H-indol-5-yl)amino]thieno[2,3-b]pyridine-5-carbonitrile Formula: C24H22N6OS MolecularWeight: 442.53608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C=CN2)NC3=C4C=C(SC4=NC=C3C#N)C=CC(=O)N5CCNCC5

Isomeric SMILES

CC1=C(C=CC2=C1C=CN2)NC3=C4C=C(SC4=NC=C3C#N)/C=C/C(=O)N5CCNCC5

InChI

InChI=1S/C24H22N6OS/c1-15-18-6-7-27-21(18)4-3-20(15)29-23-16(13-25)14-28-24-19(23)12-17(32-24)2-5-22(31)30-10-8-26-9-11-30/h2-7,12,14,26-27H,8-11H2,1H3,(H,28,29)/b5-2+