3-[3-(aminomethyl)-2-azanyl-4-(4-isothiocyanatophenyl)-3-methyl-butyl]-1H-pyridine-2-thione

Systemtic Name: 3-[3-(aminomethyl)-2-azanyl-4-(4-isothiocyanatophenyl)-3-methyl-butyl]-1H-pyridine-2-thione Openeye Name: 3-[2-amino-3-(aminomethyl)-4-(4-isothiocyanatophenyl)-3-methyl-butyl]-1H-pyridine-2-thione CAS Name: 3-[2-amino-3-(aminomethyl)-4-(4-isothiocyanatophenyl)-3-methylbutyl]-1H-pyridine-2-thione IUPAC Name: 3-[2-amino-3-(aminomethyl)-4-(4-isothiocyanatophenyl)-3-methylbutyl]-1H-pyridine-2-thione Traditional Name: 3-[2-amino-3-(aminomethyl)-4-(4-isothiocyanatophenyl)-3-methyl-butyl]-1H-pyridine-2-thione Formula: C18H22N4S2 MolecularWeight: 358.52408

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)N=C=S)(CN)C(CC2=CC=CNC2=S)N

Isomeric SMILES

CC(CC1=CC=C(C=C1)N=C=S)(CN)C(CC2=CC=CNC2=S)N

InChI

InChI=1S/C18H22N4S2/c1-18(11-19,10-13-4-6-15(7-5-13)22-12-23)16(20)9-14-3-2-8-21-17(14)24/h2-8,16H,9-11,19-20H2,1H3,(H,21,24)