[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloranyl-6-methyl-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloranyl-6-methyl-1-benzothiophen-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-6-methyl-benzothiophen-2-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(3-chloro-6-methyl-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-chloro-6-methyl-1-benzothiophen-2-yl)methanone Traditional Name: (3-chloro-6-methyl-benzothiophen-2-yl)-(4-piperonylpiperazino)methanone Formula: C22H21ClN2O3S MolecularWeight: 428.93174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C22H21ClN2O3S/c1-14-2-4-16-19(10-14)29-21(20(16)23)22(26)25-8-6-24(7-9-25)12-15-3-5-17-18(11-15)28-13-27-17/h2-5,10-11H,6-9,12-13H2,1H3