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

Systemtic Name: (1S)-N-(4-methoxyphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: (1S)-N-(4-methoxyphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: (1S)-N-(4-methoxyphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: (1S)-N-(4-methoxyphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: (1S)-N-(4-methoxyphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N2CCN3C=CC=C3C2C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N2CCN3C=CC=C3[C@@H]2C4=CC=CC=C4

InChI

InChI=1S/C21H21N3OS/c1-25-18-11-9-17(10-12-18)22-21(26)24-15-14-23-13-5-8-19(23)20(24)16-6-3-2-4-7-16/h2-13,20H,14-15H2,1H3,(H,22,26)/t20-/m0/s1