[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Openeye Name: [4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Traditional Name: [4-(benzothiophen-3-ylmethyl)piperazino]-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanone Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC3=CC=CC=C32)C(=O)C4=CC5=C(C(=C4)Cl)OCCO5

Isomeric SMILES

C1CN(CCN1CC2=CSC3=CC=CC=C32)C(=O)C4=CC5=C(C(=C4)Cl)OCCO5

InChI

InChI=1S/C22H21ClN2O3S/c23-18-11-15(12-19-21(18)28-10-9-27-19)22(26)25-7-5-24(6-8-25)13-16-14-29-20-4-2-1-3-17(16)20/h1-4,11-12,14H,5-10,13H2