methane; 6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-amine

Systemtic Name: methane; 6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-amine Openeye Name: methane; 6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-amine CAS Name: methane; 6-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-amine IUPAC Name: methane; 6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-amine Traditional Name: methane; [6-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]amine Formula: C22H35N3S MolecularWeight: 373.5984

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Descriptors Computed from Structure

Canonical SMILES:

C.C.C.CN1CCN(CC1)C2CC3=C(C=CC(=C3)N)SC4=CC=CC=C24

Isomeric SMILES

C.C.C.CN1CCN(CC1)C2CC3=C(C=CC(=C3)N)SC4=CC=CC=C24

InChI

InChI=1S/C19H23N3S.3CH4/c1-21-8-10-22(11-9-21)17-13-14-12-15(20)6-7-18(14)23-19-5-3-2-4-16(17)19;;;/h2-7,12,17H,8-11,13,20H2,1H3;3*1H4