2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6-methyl-1,1-bis(oxidanylidene)-3,4-dihydropyrrolo[2,3-f][1,2]thiazepin-5-one

Systemtic Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6-methyl-1,1-bis(oxidanylidene)-3,4-dihydropyrrolo[2,3-f][1,2]thiazepin-5-one Openeye Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6-methyl-1,1-dioxo-3,4-dihydropyrrolo[2,3-f]thiazepin-5-one CAS Name: 2-[3-[4-(4-fluorophenyl)-1-piperazinyl]propyl]-6-methyl-1,1-dioxo-3,4-dihydropyrrolo[2,3-f]thiazepin-5-one IUPAC Name: 2-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6-methyl-1,1-dioxo-3,4-dihydropyrrolo[2,3-f]thiazepin-5-one Traditional Name: 2-[3-[4-(4-fluorophenyl)piperazino]propyl]-1,1-diketo-6-methyl-3,4-dihydropyrrolo[2,3-f]thiazepin-5-one Formula: C21H27FN4O3S MolecularWeight: 434.527483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C(=O)CCN(S2(=O)=O)CCCN3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C=CC2=C1C(=O)CCN(S2(=O)=O)CCCN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H27FN4O3S/c1-23-11-8-20-21(23)19(27)7-12-26(30(20,28)29)10-2-9-24-13-15-25(16-14-24)18-5-3-17(22)4-6-18/h3-6,8,11H,2,7,9-10,12-16H2,1H3