N-phenethyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

Systemtic Name: N-phenethyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-phenethyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-phenethyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-phenethyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-phenethyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C3=CC=CN3CCN2C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C3=CC=CN3CCN2C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3S/c1-29-21-16-19(17-22(30-2)24(21)31-3)23-20-10-7-13-27(20)14-15-28(23)25(32)26-12-11-18-8-5-4-6-9-18/h4-10,13,16-17,23H,11-12,14-15H2,1-3H3,(H,26,32)