N,N-diethyl-2-(3-propylbenzo[b][1]benzothiepin-5-yl)sulfanyl-ethanamine

Systemtic Name: N,N-diethyl-2-(3-propylbenzo[b][1]benzothiepin-5-yl)sulfanyl-ethanamine Openeye Name: N,N-diethyl-2-(3-propylbenzo[b][1]benzothiepin-5-yl)sulfanyl-ethanamine CAS Name: N,N-diethyl-2-[(3-propyl-5-benzo[b][1]benzothiepinyl)thio]ethanamine IUPAC Name: N,N-diethyl-2-(3-propylbenzo[b][1]benzothiepin-5-yl)sulfanylethanamine Traditional Name: diethyl-[2-[(3-propylbenzo[b][1]benzothiepin-5-yl)thio]ethyl]amine Formula: C23H29NS2 MolecularWeight: 383.61306

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2SCCN(CC)CC

Isomeric SMILES

CCCC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2SCCN(CC)CC

InChI

InChI=1S/C23H29NS2/c1-4-9-18-12-13-22-20(16-18)23(25-15-14-24(5-2)6-3)17-19-10-7-8-11-21(19)26-22/h7-8,10-13,16-17H,4-6,9,14-15H2,1-3H3