3-(2-phenoxyethoxy)-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3-(2-phenoxyethoxy)-N-[4-(phenylmethyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: N-(4-benzylpiperazine-1-carbothioyl)-3-(2-phenoxyethoxy)benzamide CAS Name: 3-(2-phenoxyethoxy)-N-[[4-(phenylmethyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-(4-benzylpiperazine-1-carbothioyl)-3-(2-phenoxyethoxy)benzamide Traditional Name: N-(4-benzylpiperazine-1-carbothioyl)-3-(2-phenoxyethoxy)benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3S/c31-26(23-10-7-13-25(20-23)33-19-18-32-24-11-5-2-6-12-24)28-27(34)30-16-14-29(15-17-30)21-22-8-3-1-4-9-22/h1-13,20H,14-19,21H2,(H,28,31,34)