1-(3,4-dimethoxyphenyl)-N-(phenylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

Systemtic Name: 1-(3,4-dimethoxyphenyl)-N-(phenylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-benzyl-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: 1-(3,4-dimethoxyphenyl)-N-(phenylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-benzyl-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-benzyl-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=CC=CN3CCN2C(=S)NCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=CC=CN3CCN2C(=S)NCC4=CC=CC=C4)OC

InChI

InChI=1S/C23H25N3O2S/c1-27-20-11-10-18(15-21(20)28-2)22-19-9-6-12-25(19)13-14-26(22)23(29)24-16-17-7-4-3-5-8-17/h3-12,15,22H,13-14,16H2,1-2H3,(H,24,29)