3-[[4-azanyl-2-[[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-azanyl-2-[[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[4-amino-2-[4-[4-(1-piperidyl)-1-piperidyl]anilino]thiazole-5-carbonyl]benzonitrile CAS Name: 3-[[4-amino-2-[4-[4-(1-piperidinyl)-1-piperidinyl]anilino]-5-thiazolyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-amino-2-[4-(4-piperidin-1-ylpiperidin-1-yl)anilino]-1,3-thiazole-5-carbonyl]benzonitrile Traditional Name: 3-[4-amino-2-[4-(4-piperidinopiperidino)anilino]thiazole-5-carbonyl]benzonitrile Formula: C27H30N6OS MolecularWeight: 486.6317

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C3=CC=C(C=C3)NC4=NC(=C(S4)C(=O)C5=CC=CC(=C5)C#N)N

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C3=CC=C(C=C3)NC4=NC(=C(S4)C(=O)C5=CC=CC(=C5)C#N)N

InChI

InChI=1S/C27H30N6OS/c28-18-19-5-4-6-20(17-19)24(34)25-26(29)31-27(35-25)30-21-7-9-22(10-8-21)33-15-11-23(12-16-33)32-13-2-1-3-14-32/h4-10,17,23H,1-3,11-16,29H2,(H,30,31)