(3-ethoxy-4-prop-2-ynoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione

Systemtic Name: (3-ethoxy-4-prop-2-ynoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-(3-ethoxy-4-prop-2-ynoxy-phenyl)methanethione CAS Name: (3-ethoxy-4-prop-2-ynoxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-(3-ethoxy-4-prop-2-ynoxyphenyl)methanethione Traditional Name: (4-benzylpiperazino)-(3-ethoxy-4-propargyloxy-phenyl)methanethione Formula: C23H26N2O2S MolecularWeight: 394.52974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)OCC#C

InChI

InChI=1S/C23H26N2O2S/c1-3-16-27-21-11-10-20(17-22(21)26-4-2)23(28)25-14-12-24(13-15-25)18-19-8-6-5-7-9-19/h1,5-11,17H,4,12-16,18H2,2H3