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

Systemtic Name: 1-(3-nitrophenyl)-N-phenethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: 1-(3-nitrophenyl)-N-phenethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: 1-(3-nitrophenyl)-N-phenethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: 1-(3-nitrophenyl)-N-phenethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: 1-(3-nitrophenyl)-N-phenethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CN21)C3=CC(=CC=C3)[N+](=O)[O-])C(=S)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(C2=CC=CN21)C3=CC(=CC=C3)[N+](=O)[O-])C(=S)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S/c27-26(28)19-9-4-8-18(16-19)21-20-10-5-13-24(20)14-15-25(21)22(29)23-12-11-17-6-2-1-3-7-17/h1-10,13,16,21H,11-12,14-15H2,(H,23,29)