1-[3-[(3-cyano-6-methyl-quinolin-2-yl)amino]propyl]-3-[3-(dimethylamino)propyl]thiourea

Systemtic Name: 1-[3-[(3-cyano-6-methyl-quinolin-2-yl)amino]propyl]-3-[3-(dimethylamino)propyl]thiourea Openeye Name: 1-[3-[(3-cyano-6-methyl-2-quinolyl)amino]propyl]-3-[3-(dimethylamino)propyl]thiourea CAS Name: 1-[3-[(3-cyano-6-methyl-2-quinolinyl)amino]propyl]-3-[3-(dimethylamino)propyl]thiourea IUPAC Name: 1-[3-[(3-cyano-6-methylquinolin-2-yl)amino]propyl]-3-[3-(dimethylamino)propyl]thiourea Traditional Name: 1-[3-[(3-cyano-6-methyl-2-quinolyl)amino]propyl]-3-[3-(dimethylamino)propyl]thiourea Formula: C20H28N6S MolecularWeight: 384.54152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCCNC(=S)NCCCN(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)NCCCNC(=S)NCCCN(C)C

InChI

InChI=1S/C20H28N6S/c1-15-6-7-18-16(12-15)13-17(14-21)19(25-18)22-8-4-9-23-20(27)24-10-5-11-26(2)3/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,22,25)(H2,23,24,27)