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

Systemtic Name: 4-(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)-N-phenyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)-N-phenyl-1,4-diazepane-1-carbothioamide CAS Name: 4-(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)-N-phenyl-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)-N-phenyl-1,4-diazepane-1-carbothioamide Traditional Name: 4-(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)-N-phenyl-1,4-diazepane-1-carbothioamide Formula: C24H26N5S+ MolecularWeight: 416.56174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=[NH+]C2=C1)N3CCCN(CC3)C(=S)NC4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=[NH+]C2=C1)N3CCCN(CC3)C(=S)NC4=CC=CC=C4)C#N)C

InChI

InChI=1S/C24H25N5S/c1-17-13-18(2)21-15-19(16-25)23(27-22(21)14-17)28-9-6-10-29(12-11-28)24(30)26-20-7-4-3-5-8-20/h3-5,7-8,13-15H,6,9-12H2,1-2H3,(H,26,30)/p+1