4-[(2-azanyl-1,3-benzothiazol-6-yl)amino]-7-[3-(diethylamino)propoxy]-6-methyl-quinoline-3-carbonitrile

Systemtic Name: 4-[(2-azanyl-1,3-benzothiazol-6-yl)amino]-7-[3-(diethylamino)propoxy]-6-methyl-quinoline-3-carbonitrile Openeye Name: 4-[(2-amino-1,3-benzothiazol-6-yl)amino]-7-[3-(diethylamino)propoxy]-6-methyl-quinoline-3-carbonitrile CAS Name: 4-[(2-amino-1,3-benzothiazol-6-yl)amino]-7-[3-(diethylamino)propoxy]-6-methyl-3-quinolinecarbonitrile IUPAC Name: 4-[(2-amino-1,3-benzothiazol-6-yl)amino]-7-[3-(diethylamino)propoxy]-6-methylquinoline-3-carbonitrile Traditional Name: 4-[(2-amino-1,3-benzothiazol-6-yl)amino]-7-[3-(diethylamino)propoxy]-6-methyl-quinoline-3-carbonitrile Formula: C25H28N6OS MolecularWeight: 460.59442

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC4=C(C=C3)N=C(S4)N)C#N)C

Isomeric SMILES

CCN(CC)CCCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC4=C(C=C3)N=C(S4)N)C#N)C

InChI

InChI=1S/C25H28N6OS/c1-4-31(5-2)9-6-10-32-22-13-21-19(11-16(22)3)24(17(14-26)15-28-21)29-18-7-8-20-23(12-18)33-25(27)30-20/h7-8,11-13,15H,4-6,9-10H2,1-3H3,(H2,27,30)(H,28,29)