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

Systemtic Name: methyl 2-[4-[[4-(phenylmethyl)piperazin-1-yl]carbothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[(4-benzylpiperazine-1-carbothioyl)amino]phenyl]acetate CAS Name: 2-[4-[[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-benzylpiperazine-1-carbothioyl)amino]phenyl]acetate Traditional Name: 2-[4-[(4-benzylpiperazine-1-carbothioyl)amino]phenyl]acetic acid methyl ester Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-26-20(25)15-17-7-9-19(10-8-17)22-21(27)24-13-11-23(12-14-24)16-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,22,27)