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

Systemtic Name: N-tert-butyl-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: N-tert-butyl-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: N-tert-butyl-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: N-tert-butyl-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: N-tert-butyl-1-(3-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)N1CCN2C=CC=C2C1C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=S)N1CCN2C=CC=C2C1C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O2S/c1-18(2,3)19-17(25)21-11-10-20-9-5-8-15(20)16(21)13-6-4-7-14(12-13)22(23)24/h4-9,12,16H,10-11H2,1-3H3,(H,19,25)