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

Systemtic Name: (3-methoxy-4-prop-2-ynoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-(3-methoxy-4-prop-2-ynoxy-phenyl)methanethione CAS Name: (3-methoxy-4-prop-2-ynoxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-(3-methoxy-4-prop-2-ynoxyphenyl)methanethione Traditional Name: (4-benzylpiperazino)-(3-methoxy-4-propargyloxy-phenyl)methanethione Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O2S/c1-3-15-26-20-10-9-19(16-21(20)25-2)22(27)24-13-11-23(12-14-24)17-18-7-5-4-6-8-18/h1,4-10,16H,11-15,17H2,2H3