2-(2-chloroethylsulfanyl)ethyl N-(benzo[a]anthracen-7-ylmethyl)carbamate

Systemtic Name: 2-(2-chloroethylsulfanyl)ethyl N-(benzo[a]anthracen-7-ylmethyl)carbamate Openeye Name: 2-(2-chloroethylsulfanyl)ethyl N-(benzo[a]anthracen-7-ylmethyl)carbamate CAS Name: N-(7-benzo[a]anthracenylmethyl)carbamic acid 2-(2-chloroethylthio)ethyl ester IUPAC Name: 2-(2-chloroethylsulfanyl)ethyl N-(benzo[a]anthracen-7-ylmethyl)carbamate Traditional Name: N-(benz[a]anthracen-7-ylmethyl)carbamic acid 2-(2-chloroethylthio)ethyl ester Formula: C24H22ClNO2S MolecularWeight: 423.95498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)CNC(=O)OCCSCCCl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)CNC(=O)OCCSCCCl

InChI

InChI=1S/C24H22ClNO2S/c25-11-13-29-14-12-28-24(27)26-16-23-20-8-4-2-6-18(20)15-22-19-7-3-1-5-17(19)9-10-21(22)23/h1-10,15H,11-14,16H2,(H,26,27)