6-azanyl-4-[[3-chloranyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenyl]amino]-7-ethoxy-quinoline-3-carbonitrile

Systemtic Name: 6-azanyl-4-[[3-chloranyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenyl]amino]-7-ethoxy-quinoline-3-carbonitrile Openeye Name: 6-amino-4-[3-chloro-4-[(4-phenylthiazol-2-yl)methyl]anilino]-7-ethoxy-quinoline-3-carbonitrile CAS Name: 6-amino-4-[3-chloro-4-[(4-phenyl-2-thiazolyl)methyl]anilino]-7-ethoxy-3-quinolinecarbonitrile IUPAC Name: 6-amino-4-[3-chloro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]anilino]-7-ethoxyquinoline-3-carbonitrile Traditional Name: 6-amino-4-[3-chloro-4-[(4-phenylthiazol-2-yl)methyl]anilino]-7-ethoxy-quinoline-3-carbonitrile Formula: C28H22ClN5OS MolecularWeight: 512.02518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)CC4=NC(=CS4)C5=CC=CC=C5)Cl)C#N)N

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)CC4=NC(=CS4)C5=CC=CC=C5)Cl)C#N)N

InChI

InChI=1S/C28H22ClN5OS/c1-2-35-26-13-24-21(12-23(26)31)28(19(14-30)15-32-24)33-20-9-8-18(22(29)11-20)10-27-34-25(16-36-27)17-6-4-3-5-7-17/h3-9,11-13,15-16H,2,10,31H2,1H3,(H,32,33)