2-dimethylaminoethyl N'-phenyl-N-(phenylmethyl)-N-pyridin-2-yl-carbamimidothioate

Systemtic Name: 2-dimethylaminoethyl N'-phenyl-N-(phenylmethyl)-N-pyridin-2-yl-carbamimidothioate Openeye Name: 1-benzyl-2-(2-dimethylaminoethyl)-3-phenyl-1-(2-pyridyl)isothiourea CAS Name: N'-phenyl-N-(phenylmethyl)-N-(2-pyridinyl)carbamimidothioic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl N-benzyl-N'-phenyl-N-pyridin-2-ylcarbamimidothioate Traditional Name: 1-benzyl-2-(2-dimethylaminoethyl)-3-phenyl-1-(2-pyridyl)isothiourea Formula: C23H26N4S MolecularWeight: 390.54434

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC(=NC1=CC=CC=C1)N(CC2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

CN(C)CCSC(=NC1=CC=CC=C1)N(CC2=CC=CC=C2)C3=CC=CC=N3

InChI

InChI=1S/C23H26N4S/c1-26(2)17-18-28-23(25-21-13-7-4-8-14-21)27(22-15-9-10-16-24-22)19-20-11-5-3-6-12-20/h3-16H,17-19H2,1-2H3