N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-3-isothiocyanato-N-methyl-propan-1-amine

Systemtic Name: N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-3-isothiocyanato-N-methyl-propan-1-amine Openeye Name: N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-3-isothiocyanato-N-methyl-propan-1-amine CAS Name: N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-3-isothiocyanato-N-methyl-1-propanamine IUPAC Name: N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-3-isothiocyanato-N-methylpropan-1-amine Traditional Name: 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-(3-isothiocyanatopropyl)-methyl-amine Formula: C22H27N3S MolecularWeight: 365.53488

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN=C=S)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31

Isomeric SMILES

CN(CCCN=C=S)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31

InChI

InChI=1S/C22H27N3S/c1-24(15-6-14-23-18-26)16-7-17-25-21-10-4-2-8-19(21)12-13-20-9-3-5-11-22(20)25/h2-5,8-11H,6-7,12-17H2,1H3