phenyl N-[5-[[(C-ethylsulfanyl-N-heptyl-carbonimidoyl)-heptyl-carbamoyl]amino]-2-methyl-phenyl]carbamate

Systemtic Name: phenyl N-[5-[[(C-ethylsulfanyl-N-heptyl-carbonimidoyl)-heptyl-carbamoyl]amino]-2-methyl-phenyl]carbamate Openeye Name: phenyl N-[5-[[(C-ethylsulfanyl-N-heptyl-carbonimidoyl)-heptyl-carbamoyl]amino]-2-methyl-phenyl]carbamate CAS Name: N-[5-[[[[(ethylthio)-heptyliminomethyl]-heptylamino]-oxomethyl]amino]-2-methylphenyl]carbamic acid phenyl ester IUPAC Name: phenyl N-[5-[[(C-ethylsulfanyl-N-heptylcarbonimidoyl)-heptylcarbamoyl]amino]-2-methylphenyl]carbamate Traditional Name: N-[5-[[[C-(ethylthio)-N-heptyl-carbonimidoyl]-heptyl-carbamoyl]amino]-2-methyl-phenyl]carbamic acid phenyl ester Formula: C32H48N4O3S MolecularWeight: 568.81352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN=C(N(CCCCCCC)C(=O)NC1=CC(=C(C=C1)C)NC(=O)OC2=CC=CC=C2)SCC

Isomeric SMILES

CCCCCCCN=C(N(CCCCCCC)C(=O)NC1=CC(=C(C=C1)C)NC(=O)OC2=CC=CC=C2)SCC

InChI

InChI=1S/C32H48N4O3S/c1-5-8-10-12-17-23-33-31(40-7-3)36(24-18-13-11-9-6-2)30(37)34-27-22-21-26(4)29(25-27)35-32(38)39-28-19-15-14-16-20-28/h14-16,19-22,25H,5-13,17-18,23-24H2,1-4H3,(H,34,37)(H,35,38)