3-(6H-benzo[c][1]benzothiepin-11-ylideneamino)-N,N-diethyl-propan-1-amine; ethanesulfonic acid

Systemtic Name: 3-(6H-benzo[c][1]benzothiepin-11-ylideneamino)-N,N-diethyl-propan-1-amine; ethanesulfonic acid Openeye Name: 3-(6H-benzo[c][1]benzothiepin-11-ylideneamino)-N,N-diethyl-propan-1-amine; ethanesulfonic acid CAS Name: 3-(6H-benzo[c][1]benzothiepin-11-ylideneamino)-N,N-diethyl-1-propanamine; ethanesulfonic acid IUPAC Name: 3-(6H-benzo[c][1]benzothiepin-11-ylideneamino)-N,N-diethylpropan-1-amine; ethanesulfonic acid Traditional Name: 3-(6H-benzo[c][1]benzothiepin-11-ylideneamino)propyl-diethyl-amine; esylic acid Formula: C25H38N2O6S3 MolecularWeight: 558.77402

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN=C1C2=CC=CC=C2CSC3=CC=CC=C31.CCS(=O)(=O)O.CCS(=O)(=O)O

Isomeric SMILES

CCN(CC)CCCN=C1C2=CC=CC=C2CSC3=CC=CC=C31.CCS(=O)(=O)O.CCS(=O)(=O)O

InChI

InChI=1S/C21H26N2S.2C2H6O3S/c1-3-23(4-2)15-9-14-22-21-18-11-6-5-10-17(18)16-24-20-13-8-7-12-19(20)21;2*1-2-6(3,4)5/h5-8,10-13H,3-4,9,14-16H2,1-2H3;2*2H2,1H3,(H,3,4,5)