4-(3-cyano-5,7-dimethyl-quinolin-2-yl)-N-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(3-cyano-5,7-dimethyl-quinolin-2-yl)-N-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-(3-cyano-5,7-dimethyl-2-quinolyl)-N-(2-furylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-(3-cyano-5,7-dimethyl-2-quinolinyl)-N-(2-furanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(3-cyano-5,7-dimethylquinolin-2-yl)-N-(furan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-(3-cyano-5,7-dimethyl-2-quinolyl)-N-(2-furfuryl)-1,4-diazepane-1-carbothioamide Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=S)NCC4=CC=CO4)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=NC2=C1)N3CCCN(CC3)C(=S)NCC4=CC=CO4)C#N)C

InChI

InChI=1S/C23H25N5OS/c1-16-11-17(2)20-13-18(14-24)22(26-21(20)12-16)27-6-4-7-28(9-8-27)23(30)25-15-19-5-3-10-29-19/h3,5,10-13H,4,6-9,15H2,1-2H3,(H,25,30)