N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-2-(2-chloroethylsulfanyl)-N-methyl-ethanamine

Systemtic Name: N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-2-(2-chloroethylsulfanyl)-N-methyl-ethanamine Openeye Name: N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-2-(2-chloroethylsulfanyl)-N-methyl-ethanamine CAS Name: N-[[4-(7-benzo[a]anthracenyl)phenyl]methyl]-2-(2-chloroethylthio)-N-methylethanamine IUPAC Name: N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-2-(2-chloroethylsulfanyl)-N-methylethanamine Traditional Name: (4-benz[a]anthracen-7-ylbenzyl)-[2-(2-chloroethylthio)ethyl]-methyl-amine Formula: C30H28ClNS MolecularWeight: 470.06802

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCSCCCl)CC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=CC5=CC=CC=C52

Isomeric SMILES

CN(CCSCCCl)CC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=CC5=CC=CC=C52

InChI

InChI=1S/C30H28ClNS/c1-32(17-19-33-18-16-31)21-22-10-12-24(13-11-22)30-27-9-5-3-7-25(27)20-29-26-8-4-2-6-23(26)14-15-28(29)30/h2-15,20H,16-19,21H2,1H3