[4-[3-[(2-azanyl-3-cyano-1H-indol-5-yl)sulfanyl]phenoxy]phenyl] 4-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: [4-[3-[(2-azanyl-3-cyano-1H-indol-5-yl)sulfanyl]phenoxy]phenyl] 4-(4-methylpiperazin-1-yl)-4-oxidanylidene-butanoate Openeye Name: [4-[3-[(2-amino-3-cyano-1H-indol-5-yl)sulfanyl]phenoxy]phenyl] 4-(4-methylpiperazin-1-yl)-4-oxo-butanoate CAS Name: 4-(4-methyl-1-piperazinyl)-4-oxobutanoic acid [4-[3-[(2-amino-3-cyano-1H-indol-5-yl)thio]phenoxy]phenyl] ester IUPAC Name: [4-[3-[(2-amino-3-cyano-1H-indol-5-yl)sulfanyl]phenoxy]phenyl] 4-(4-methylpiperazin-1-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(4-methylpiperazino)butyric acid [4-[3-[(2-amino-3-cyano-1H-indol-5-yl)thio]phenoxy]phenyl] ester Formula: C30H29N5O4S MolecularWeight: 555.64736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC(=O)OC2=CC=C(C=C2)OC3=CC(=CC=C3)SC4=CC5=C(C=C4)NC(=C5C#N)N

Isomeric SMILES

CN1CCN(CC1)C(=O)CCC(=O)OC2=CC=C(C=C2)OC3=CC(=CC=C3)SC4=CC5=C(C=C4)NC(=C5C#N)N

InChI

InChI=1S/C30H29N5O4S/c1-34-13-15-35(16-14-34)28(36)11-12-29(37)39-21-7-5-20(6-8-21)38-22-3-2-4-23(17-22)40-24-9-10-27-25(18-24)26(19-31)30(32)33-27/h2-10,17-18,33H,11-16,32H2,1H3