1-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3-(4-methylsulfanylphenyl)urea

Systemtic Name: 1-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3-(4-methylsulfanylphenyl)urea Openeye Name: 1-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3-(4-methylsulfanylphenyl)urea CAS Name: 1-[3-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]propyl]-3-[4-(methylthio)phenyl]urea IUPAC Name: 1-[3-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]propyl]-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-[3-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]propyl]-3-[4-(methylthio)phenyl]urea Formula: C23H26N5OS+ MolecularWeight: 420.55044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCCNC(=O)NC3=CC=C(C=C3)SC)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCCNC(=O)NC3=CC=C(C=C3)SC)C#N)C

InChI

InChI=1S/C23H25N5OS/c1-15-11-16(2)20-13-17(14-24)22(28-21(20)12-15)25-9-4-10-26-23(29)27-18-5-7-19(30-3)8-6-18/h5-8,11-13H,4,9-10H2,1-3H3,(H,25,28)(H2,26,27,29)/p+1