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

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methanethione CAS Name: (3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methanethione Traditional Name: (4-benzylpiperazino)-(3-bromo-5-methoxy-4-propargyloxy-phenyl)methanethione Formula: C22H23BrN2O2S MolecularWeight: 459.39922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN2O2S/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/h1,4-8,14-15H,9-13,16H2,2H3