4-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenyl-phenyl)piperazine-1-carbothioamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H25N3O3S/c1-29-22-9-7-19(18-5-3-2-4-6-18)15-21(22)26-25(32)28-13-11-27(12-14-28)20-8-10-23-24(16-20)31-17-30-23/h2-10,15-16H,11-14,17H2,1H3,(H,26,32)