4-[(2-azanyl-1,3-benzothiazol-6-yl)amino]-7-[3-(3,5-dimethylpiperazin-1-yl)propoxy]-6-methyl-quinoline-3-carbonitrile

Systemtic Name: 4-[(2-azanyl-1,3-benzothiazol-6-yl)amino]-7-[3-(3,5-dimethylpiperazin-1-yl)propoxy]-6-methyl-quinoline-3-carbonitrile Openeye Name: 4-[(2-amino-1,3-benzothiazol-6-yl)amino]-7-[3-(3,5-dimethylpiperazin-1-yl)propoxy]-6-methyl-quinoline-3-carbonitrile CAS Name: 4-[(2-amino-1,3-benzothiazol-6-yl)amino]-7-[3-(3,5-dimethyl-1-piperazinyl)propoxy]-6-methyl-3-quinolinecarbonitrile IUPAC Name: 4-[(2-amino-1,3-benzothiazol-6-yl)amino]-7-[3-(3,5-dimethylpiperazin-1-yl)propoxy]-6-methylquinoline-3-carbonitrile Traditional Name: 4-[(2-amino-1,3-benzothiazol-6-yl)amino]-7-[3-(3,5-dimethylpiperazino)propoxy]-6-methyl-quinoline-3-carbonitrile Formula: C27H31N7OS MolecularWeight: 501.64634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC5=C(C=C4)N=C(S5)N)C#N)C

Isomeric SMILES

CC1CN(CC(N1)C)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC5=C(C=C4)N=C(S5)N)C#N)C

InChI

InChI=1S/C27H31N7OS/c1-16-9-21-23(11-24(16)35-8-4-7-34-14-17(2)31-18(3)15-34)30-13-19(12-28)26(21)32-20-5-6-22-25(10-20)36-27(29)33-22/h5-6,9-11,13,17-18,31H,4,7-8,14-15H2,1-3H3,(H2,29,33)(H,30,32)