4-[(2-azanyl-1,3-benzothiazol-6-yl)amino]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinoline-3-carbonitrile

Systemtic Name: 4-[(2-azanyl-1,3-benzothiazol-6-yl)amino]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinoline-3-carbonitrile Openeye Name: 4-[(2-amino-1,3-benzothiazol-6-yl)amino]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinoline-3-carbonitrile CAS Name: 4-[(2-amino-1,3-benzothiazol-6-yl)amino]-6-methoxy-7-[3-(1-piperazinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-[(2-amino-1,3-benzothiazol-6-yl)amino]-6-methoxy-7-(3-piperazin-1-ylpropoxy)quinoline-3-carbonitrile Traditional Name: 4-[(2-amino-1,3-benzothiazol-6-yl)amino]-6-methoxy-7-(3-piperazinopropoxy)quinoline-3-carbonitrile Formula: C25H27N7O2S MolecularWeight: 489.59258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC4=C(C=C3)N=C(S4)N)OCCCN5CCNCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC4=C(C=C3)N=C(S4)N)OCCCN5CCNCC5

InChI

InChI=1S/C25H27N7O2S/c1-33-21-12-18-20(13-22(21)34-10-2-7-32-8-5-28-6-9-32)29-15-16(14-26)24(18)30-17-3-4-19-23(11-17)35-25(27)31-19/h3-4,11-13,15,28H,2,5-10H2,1H3,(H2,27,31)(H,29,30)