4-(1H-indol-5-ylamino)-2-[3-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]phenyl]thieno[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 4-(1H-indol-5-ylamino)-2-[3-[[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]phenyl]thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 4-(1H-indol-5-ylamino)-2-[3-[[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]methyl]phenyl]thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 4-(1H-indol-5-ylamino)-2-[3-[[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]methyl]phenyl]-5-thieno[2,3-b]pyridinecarbonitrile IUPAC Name: 4-(1H-indol-5-ylamino)-2-[3-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]phenyl]thieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 4-(1H-indol-5-ylamino)-2-[3-[[4-(2-keto-2-pyrrolidino-ethyl)piperazino]methyl]phenyl]thieno[2,3-b]pyridine-5-carbonitrile Formula: C33H33N7OS MolecularWeight: 575.72642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)CC3=CC=CC(=C3)C4=CC5=C(C(=CN=C5S4)C#N)NC6=CC7=C(C=C6)NC=C7

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)CC3=CC=CC(=C3)C4=CC5=C(C(=CN=C5S4)C#N)NC6=CC7=C(C=C6)NC=C7

InChI

InChI=1S/C33H33N7OS/c34-19-26-20-36-33-28(32(26)37-27-6-7-29-24(17-27)8-9-35-29)18-30(42-33)25-5-3-4-23(16-25)21-38-12-14-39(15-13-38)22-31(41)40-10-1-2-11-40/h3-9,16-18,20,35H,1-2,10-15,21-22H2,(H,36,37)