3-bromanyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-4-propoxy-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-3-bromo-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-3-bromo-4-propoxybenzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-3-bromo-4-propoxy-benzamide Formula: C22H26BrN3O2S MolecularWeight: 476.42974

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C22H26BrN3O2S/c1-2-14-28-20-9-8-18(15-19(20)23)21(27)24-22(29)26-12-10-25(11-13-26)16-17-6-4-3-5-7-17/h3-9,15H,2,10-14,16H2,1H3,(H,24,27,29)