O-[3-[(4-ethoxyphenyl)carbamoyl]phenyl] 4-methylpiperidine-1-carbothioate

Systemtic Name: O-[3-[(4-ethoxyphenyl)carbamoyl]phenyl] 4-methylpiperidine-1-carbothioate Openeye Name: O-[3-[(4-ethoxyphenyl)carbamoyl]phenyl] 4-methylpiperidine-1-carbothioate CAS Name: 4-methyl-1-piperidinecarbothioic acid O-[3-[(4-ethoxyanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[3-[(4-ethoxyphenyl)carbamoyl]phenyl] 4-methylpiperidine-1-carbothioate Traditional Name: 4-methylpiperidine-1-carbothioic acid O-[3-(p-phenetylcarbamoyl)phenyl] ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OC(=S)N3CCC(CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OC(=S)N3CCC(CC3)C

InChI

InChI=1S/C22H26N2O3S/c1-3-26-19-9-7-18(8-10-19)23-21(25)17-5-4-6-20(15-17)27-22(28)24-13-11-16(2)12-14-24/h4-10,15-16H,3,11-14H2,1-2H3,(H,23,25)