(3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione

Systemtic Name: (3-chloranyl-5-methoxy-4-prop-2-enoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-allyloxy-3-chloro-5-methoxy-phenyl)-(4-benzylpiperazin-1-yl)methanethione CAS Name: (3-chloro-5-methoxy-4-prop-2-enoxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-(3-chloro-5-methoxy-4-prop-2-enoxyphenyl)methanethione Traditional Name: (4-allyloxy-3-chloro-5-methoxy-phenyl)-(4-benzylpiperazino)methanethione Formula: C22H25ClN2O2S MolecularWeight: 416.9641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)Cl)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=S)N2CCN(CC2)CC3=CC=CC=C3)Cl)OCC=C

InChI

InChI=1S/C22H25ClN2O2S/c1-3-13-27-21-19(23)14-18(15-20(21)26-2)22(28)25-11-9-24(10-12-25)16-17-7-5-4-6-8-17/h3-8,14-15H,1,9-13,16H2,2H3