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

Systemtic Name: 1-(4-chlorophenyl)-N-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Openeye Name: 1-(4-chlorophenyl)-N-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide CAS Name: 1-(4-chlorophenyl)-N-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide IUPAC Name: 1-(4-chlorophenyl)-N-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Traditional Name: 1-(4-chlorophenyl)-N-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide Formula: C21H20ClN3OS MolecularWeight: 397.921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3OS/c1-26-18-5-2-4-17(14-18)23-21(27)25-13-12-24-11-3-6-19(24)20(25)15-7-9-16(22)10-8-15/h2-11,14,20H,12-13H2,1H3,(H,23,27)