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

Systemtic Name: (3-bromanyl-4-prop-2-ynoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-(3-bromo-4-prop-2-ynoxy-phenyl)methanethione CAS Name: (3-bromo-4-prop-2-ynoxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-(3-bromo-4-prop-2-ynoxyphenyl)methanethione Traditional Name: (4-benzylpiperazino)-(3-bromo-4-propargyloxy-phenyl)methanethione Formula: C21H21BrN2OS MolecularWeight: 429.37324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2OS/c1-2-14-25-20-9-8-18(15-19(20)22)21(26)24-12-10-23(11-13-24)16-17-6-4-3-5-7-17/h1,3-9,15H,10-14,16H2