4-[(3R)-5-[(2S)-2-butyl-4-(3-methoxyphenyl)-5-oxidanylidene-piperazin-1-yl]carbonyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]benzenecarbonitrile

Systemtic Name: 4-[(3R)-5-[(2S)-2-butyl-4-(3-methoxyphenyl)-5-oxidanylidene-piperazin-1-yl]carbonyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]benzenecarbonitrile Openeye Name: 4-[(3R)-5-[(2S)-2-butyl-4-(3-methoxyphenyl)-5-oxo-piperazine-1-carbonyl]-2,3-dihydroimidazo[2,1-b]thiazol-3-yl]benzonitrile CAS Name: 4-[(3R)-5-[[(2S)-2-butyl-4-(3-methoxyphenyl)-5-oxo-1-piperazinyl]-oxomethyl]-2,3-dihydroimidazo[2,1-b]thiazol-3-yl]benzonitrile IUPAC Name: 4-[(3R)-5-[(2S)-2-butyl-4-(3-methoxyphenyl)-5-oxopiperazine-1-carbonyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-3-yl]benzonitrile Traditional Name: 4-[(3R)-5-[(2S)-2-butyl-5-keto-4-(3-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroimidazo[2,1-b]thiazol-3-yl]benzonitrile Formula: C28H29N5O3S MolecularWeight: 515.62656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(C(=O)CN1C(=O)C2=CN=C3N2C(CS3)C4=CC=C(C=C4)C#N)C5=CC(=CC=C5)OC

Isomeric SMILES

CCCC[C@H]1CN(C(=O)CN1C(=O)C2=CN=C3N2[C@@H](CS3)C4=CC=C(C=C4)C#N)C5=CC(=CC=C5)OC

InChI

InChI=1S/C28H29N5O3S/c1-3-4-6-22-16-31(21-7-5-8-23(13-21)36-2)26(34)17-32(22)27(35)24-15-30-28-33(24)25(18-37-28)20-11-9-19(14-29)10-12-20/h5,7-13,15,22,25H,3-4,6,16-18H2,1-2H3/t22-,25-/m0/s1