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

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-(phenylmethyl)piperazin-1-yl]methanethione Openeye Name: (4-benzylpiperazin-1-yl)-(3-bromo-4-ethoxy-5-methoxy-phenyl)methanethione CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-(phenylmethyl)-1-piperazinyl]methanethione IUPAC Name: (4-benzylpiperazin-1-yl)-(3-bromo-4-ethoxy-5-methoxyphenyl)methanethione Traditional Name: (4-benzylpiperazino)-(3-bromo-4-ethoxy-5-methoxy-phenyl)methanethione Formula: C21H25BrN2O2S MolecularWeight: 449.4044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=S)N2CCN(CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=S)N2CCN(CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H25BrN2O2S/c1-3-26-20-18(22)13-17(14-19(20)25-2)21(27)24-11-9-23(10-12-24)15-16-7-5-4-6-8-16/h4-8,13-14H,3,9-12,15H2,1-2H3