N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-3-(2-chloroethylsulfanyl)propan-1-amine

Systemtic Name: N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-3-(2-chloroethylsulfanyl)propan-1-amine Openeye Name: N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-3-(2-chloroethylsulfanyl)propan-1-amine CAS Name: N-[[4-(7-benzo[a]anthracenyl)phenyl]methyl]-3-(2-chloroethylthio)-1-propanamine IUPAC Name: N-[(4-benzo[a]anthracen-7-ylphenyl)methyl]-3-(2-chloroethylsulfanyl)propan-1-amine Traditional Name: (4-benz[a]anthracen-7-ylbenzyl)-[3-(2-chloroethylthio)propyl]amine Formula: C30H28ClNS MolecularWeight: 470.06802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)C5=CC=C(C=C5)CNCCCSCCCl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)C5=CC=C(C=C5)CNCCCSCCCl

InChI

InChI=1S/C30H28ClNS/c31-16-19-33-18-5-17-32-21-22-10-12-24(13-11-22)30-27-9-4-2-7-25(27)20-29-26-8-3-1-6-23(26)14-15-28(29)30/h1-4,6-15,20,32H,5,16-19,21H2