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

Systemtic Name: (5-bromanyl-2-prop-2-enoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (2-allyloxy-5-bromo-phenyl)-(4-benzylpiperazin-1-yl)methanethione CAS Name: (5-bromo-2-prop-2-enoxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-(5-bromo-2-prop-2-enoxyphenyl)methanethione Traditional Name: (2-allyloxy-5-bromo-phenyl)-(4-benzylpiperazino)methanethione Formula: C21H23BrN2OS MolecularWeight: 431.38912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2OS/c1-2-14-25-20-9-8-18(22)15-19(20)21(26)24-12-10-23(11-13-24)16-17-6-4-3-5-7-17/h2-9,15H,1,10-14,16H2