3-[3-(2-azanylethyl)-5-[2-[2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]ethyl]phenyl]propanoate

Systemtic Name: 3-[3-(2-azanylethyl)-5-[2-[2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]ethyl]phenyl]propanoate Openeye Name: 3-[3-(2-aminoethyl)-5-[2-[2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]ethyl]phenyl]propanoate CAS Name: 3-[3-(2-aminoethyl)-5-[2-[2-[3-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]propoxy]phenyl]ethyl]phenyl]propanoate IUPAC Name: 3-[3-(2-aminoethyl)-5-[2-[2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propoxy]phenyl]ethyl]phenyl]propanoate Traditional Name: 3-[3-(2-aminoethyl)-5-[2-[2-[3-[4-(1,2-benzothiazol-3-yl)piperazino]propoxy]phenyl]ethyl]phenyl]propionate Formula: C33H39N4O3S- MolecularWeight: 571.75276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=CC=C2CCC3=CC(=CC(=C3)CCN)CCC(=O)[O-])C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=CC=C2CCC3=CC(=CC(=C3)CCN)CCC(=O)[O-])C4=NSC5=CC=CC=C54

InChI

InChI=1S/C33H40N4O3S/c34-15-14-27-23-25(22-26(24-27)11-13-32(38)39)10-12-28-6-1-3-8-30(28)40-21-5-16-36-17-19-37(20-18-36)33-29-7-2-4-9-31(29)41-35-33/h1-4,6-9,22-24H,5,10-21,34H2,(H,38,39)/p-1