9-[3-[(3R,5S)-4-(6-isothiocyanatohexyl)-3,5-dimethyl-piperazin-1-yl]propyl]carbazole

Systemtic Name: 9-[3-[(3R,5S)-4-(6-isothiocyanatohexyl)-3,5-dimethyl-piperazin-1-yl]propyl]carbazole Openeye Name: 9-[3-[(3R,5S)-4-(6-isothiocyanatohexyl)-3,5-dimethyl-piperazin-1-yl]propyl]carbazole CAS Name: 9-[3-[(3R,5S)-4-(6-isothiocyanatohexyl)-3,5-dimethyl-1-piperazinyl]propyl]carbazole IUPAC Name: 9-[3-[(3R,5S)-4-(6-isothiocyanatohexyl)-3,5-dimethylpiperazin-1-yl]propyl]carbazole Traditional Name: 9-[3-[(3R,5S)-4-(6-isothiocyanatohexyl)-3,5-dimethyl-piperazino]propyl]carbazole Formula: C28H38N4S MolecularWeight: 462.69312

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1CCCCCCN=C=S)C)CCCN2C3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1CCCCCCN=C=S)C)CCCN2C3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C28H38N4S/c1-23-20-30(21-24(2)31(23)18-10-4-3-9-16-29-22-33)17-11-19-32-27-14-7-5-12-25(27)26-13-6-8-15-28(26)32/h5-8,12-15,23-24H,3-4,9-11,16-21H2,1-2H3/t23-,24+