N,N-dimethyl-3-(6-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propan-1-amine; ethanedioic acid

Systemtic Name: N,N-dimethyl-3-(6-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propan-1-amine; ethanedioic acid Openeye Name: N,N-dimethyl-3-(6-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propan-1-amine; oxalic acid CAS Name: N,N-dimethyl-3-(6-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-1-propanamine; oxalic acid IUPAC Name: N,N-dimethyl-3-(6-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propan-1-amine; oxalic acid Traditional Name: dimethyl-[3-(6-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl]amine; oxalic acid Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1C2=CC=CC=C2C(SC3=CC=CC=C13)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCCC1C2=CC=CC=C2C(SC3=CC=CC=C13)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H27NS.C2H2O4/c1-26(2)18-10-16-20-21-13-6-7-15-23(21)25(19-11-4-3-5-12-19)27-24-17-9-8-14-22(20)24;3-1(4)2(5)6/h3-9,11-15,17,20,25H,10,16,18H2,1-2H3;(H,3,4)(H,5,6)