O-[4-[(3-methylphenyl)carbamoyl]phenyl] N-(phenylmethyl)-N-propyl-carbamothioate

Systemtic Name: O-[4-[(3-methylphenyl)carbamoyl]phenyl] N-(phenylmethyl)-N-propyl-carbamothioate Openeye Name: O-[4-(m-tolylcarbamoyl)phenyl] N-benzyl-N-propyl-carbamothioate CAS Name: N-(phenylmethyl)-N-propylcarbamothioic acid O-[4-[(3-methylanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[4-[(3-methylphenyl)carbamoyl]phenyl] N-benzyl-N-propylcarbamothioate Traditional Name: N-benzyl-N-propyl-thiocarbamic acid O-[4-(m-tolylcarbamoyl)phenyl] ester Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(=S)OC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(=S)OC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C

InChI

InChI=1S/C25H26N2O2S/c1-3-16-27(18-20-9-5-4-6-10-20)25(30)29-23-14-12-21(13-15-23)24(28)26-22-11-7-8-19(2)17-22/h4-15,17H,3,16,18H2,1-2H3,(H,26,28)