[4-(phenylmethyl)piperazin-1-yl]-(4-prop-2-ynoxyphenyl)methanethione

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-(4-prop-2-ynoxyphenyl)methanethione Openeye Name: (4-benzylpiperazin-1-yl)-(4-prop-2-ynoxyphenyl)methanethione CAS Name: [4-(phenylmethyl)-1-piperazinyl]-(4-prop-2-ynoxyphenyl)methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-(4-prop-2-ynoxyphenyl)methanethione Traditional Name: (4-benzylpiperazino)-(4-propargyloxyphenyl)methanethione Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2OS/c1-2-16-24-20-10-8-19(9-11-20)21(25)23-14-12-22(13-15-23)17-18-6-4-3-5-7-18/h1,3-11H,12-17H2