6-[2-[6-[(6-methoxy-7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)-propyl-amino]hexylamino]ethyl]-3H-1,3-benzothiazol-2-one dihydrochloride

Systemtic Name: 6-[2-[6-[(6-methoxy-7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)-propyl-amino]hexylamino]ethyl]-3H-1,3-benzothiazol-2-one dihydrochloride Openeye Name: 6-[2-[6-[(6-methoxy-7-nitro-tetralin-2-yl)-propyl-amino]hexylamino]ethyl]-3H-1,3-benzothiazol-2-one dihydrochloride CAS Name: 6-[2-[6-[(6-methoxy-7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexylamino]ethyl]-3H-1,3-benzothiazol-2-one dihydrochloride IUPAC Name: 6-[2-[6-[(6-methoxy-7-nitro-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]hexylamino]ethyl]-3H-1,3-benzothiazol-2-one dihydrochloride Traditional Name: 6-[2-[6-[(6-methoxy-7-nitro-tetralin-2-yl)-propyl-amino]hexylamino]ethyl]-3H-1,3-benzothiazol-2-one dihydrochloride Formula: C29H42Cl2N4O4S MolecularWeight: 613.63918

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCCCNCCC1=CC2=C(C=C1)NC(=O)S2)C3CCC4=CC(=C(C=C4C3)[N+](=O)[O-])OC.Cl.Cl

Isomeric SMILES

CCCN(CCCCCCNCCC1=CC2=C(C=C1)NC(=O)S2)C3CCC4=CC(=C(C=C4C3)[N+](=O)[O-])OC.Cl.Cl

InChI

InChI=1S/C29H40N4O4S.2ClH/c1-3-15-32(24-10-9-22-20-27(37-2)26(33(35)36)19-23(22)18-24)16-7-5-4-6-13-30-14-12-21-8-11-25-28(17-21)38-29(34)31-25;;/h8,11,17,19-20,24,30H,3-7,9-10,12-16,18H2,1-2H3,(H,31,34);2*1H