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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCNC(=S)N1CCN2C=CC=C2[C@@H]1C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O2S/c1-2-3-10-19-18(25)21-13-12-20-11-4-5-16(20)17(21)14-6-8-15(9-7-14)22(23)24/h4-9,11,17H,2-3,10,12-13H2,1H3,(H,19,25)/t17-/m0/s1