methyl 2-[4-[[4-(phenylmethyl)piperidin-1-yl]carbothioylamino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[[4-(phenylmethyl)piperidin-1-yl]carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[(4-benzylpiperidine-1-carbothioyl)amino]phenyl]acetate CAS Name: 2-[4-[[[4-(phenylmethyl)-1-piperidinyl]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-benzylpiperidine-1-carbothioyl)amino]phenyl]acetate Traditional Name: 2-[4-[(4-benzylpiperidine-1-carbothioyl)amino]phenyl]acetic acid methyl ester Formula: C22H26N2O2S MolecularWeight: 382.51904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2S/c1-26-21(25)16-18-7-9-20(10-8-18)23-22(27)24-13-11-19(12-14-24)15-17-5-3-2-4-6-17/h2-10,19H,11-16H2,1H3,(H,23,27)