N-[3-[1-[2-(4-methoxyphenyl)ethylcarbamothioyl-methyl-amino]ethyl]phenyl]benzamide

Systemtic Name: N-[3-[1-[2-(4-methoxyphenyl)ethylcarbamothioyl-methyl-amino]ethyl]phenyl]benzamide Openeye Name: N-[3-[1-[2-(4-methoxyphenyl)ethylcarbamothioyl-methyl-amino]ethyl]phenyl]benzamide CAS Name: N-[3-[1-[[[2-(4-methoxyphenyl)ethylamino]-sulfanylidenemethyl]-methylamino]ethyl]phenyl]benzamide IUPAC Name: N-[3-[1-[2-(4-methoxyphenyl)ethylcarbamothioyl-methylamino]ethyl]phenyl]benzamide Traditional Name: N-[3-[1-[2-(4-methoxyphenyl)ethylthiocarbamoyl-methyl-amino]ethyl]phenyl]benzamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N(C)C(=S)NCCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N(C)C(=S)NCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H29N3O2S/c1-19(29(2)26(32)27-17-16-20-12-14-24(31-3)15-13-20)22-10-7-11-23(18-22)28-25(30)21-8-5-4-6-9-21/h4-15,18-19H,16-17H2,1-3H3,(H,27,32)(H,28,30)