(1S)-N-(2,6-diethylphenyl)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide

Systemtic Name: (1S)-N-(2,6-diethylphenyl)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1S)-N-(2,6-diethylphenyl)-1-(3-pyridyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1S)-N-(2,6-diethylphenyl)-1-(3-pyridinyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1S)-N-(2,6-diethylphenyl)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1S)-N-(2,6-diethylphenyl)-1-(3-pyridyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C23H26N4S MolecularWeight: 390.54434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN3C=CC=C3C2C4=CN=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN3C=CC=C3[C@@H]2C4=CN=CC=C4

InChI

InChI=1S/C23H26N4S/c1-3-17-8-5-9-18(4-2)21(17)25-23(28)27-15-14-26-13-7-11-20(26)22(27)19-10-6-12-24-16-19/h5-13,16,22H,3-4,14-15H2,1-2H3,(H,25,28)/t22-/m0/s1