[4-(2-azanyl-3-sulfanyl-propyl)-3-(phenylmethoxymethyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-7-yl)methanone

Systemtic Name: [4-(2-azanyl-3-sulfanyl-propyl)-3-(phenylmethoxymethyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-7-yl)methanone Openeye Name: [4-(2-amino-3-sulfanyl-propyl)-3-(benzyloxymethyl)piperazin-1-yl]-(2,3-dihydrobenzofuran-7-yl)methanone CAS Name: [4-(2-amino-3-mercaptopropyl)-3-(phenylmethoxymethyl)-1-piperazinyl]-(2,3-dihydrobenzofuran-7-yl)methanone IUPAC Name: [4-(2-amino-3-sulfanylpropyl)-3-(phenylmethoxymethyl)piperazin-1-yl]-(2,3-dihydro-1-benzofuran-7-yl)methanone Traditional Name: [4-(2-amino-3-mercapto-propyl)-3-(benzoxymethyl)piperazino]-coumaran-7-yl-methanone Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C21)C(=O)N3CCN(C(C3)COCC4=CC=CC=C4)CC(CS)N

Isomeric SMILES

C1COC2=C(C=CC=C21)C(=O)N3CCN(C(C3)COCC4=CC=CC=C4)CC(CS)N

InChI

InChI=1S/C24H31N3O3S/c25-20(17-31)13-26-10-11-27(14-21(26)16-29-15-18-5-2-1-3-6-18)24(28)22-8-4-7-19-9-12-30-23(19)22/h1-8,20-21,31H,9-17,25H2