N-(4-chlorophenyl)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-chlorophenyl)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazine-1-carbothioamide Openeye Name: N-(4-chlorophenyl)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazine-1-carbothioamide CAS Name: N-(4-chlorophenyl)-4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-chlorophenyl)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazine-1-carbothioamide Traditional Name: N-(4-chlorophenyl)-4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazine-1-carbothioamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)[C@@H]2COC3=CC=CC=C3O2)C(=S)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN3O3S/c21-14-5-7-15(8-6-14)22-20(28)24-11-9-23(10-12-24)19(25)18-13-26-16-3-1-2-4-17(16)27-18/h1-8,18H,9-13H2,(H,22,28)/t18-/m0/s1