N-(3-ethoxypropyl)-4-naphthalen-2-ylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-ethoxypropyl)-4-naphthalen-2-ylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-ethoxypropyl)-4-(2-naphthylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(3-ethoxypropyl)-4-(2-naphthalenylsulfonyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-ethoxypropyl)-4-naphthalen-2-ylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-ethoxypropyl)-4-(2-naphthylsulfonyl)piperazine-1-carbothioamide Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCOCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H27N3O3S2/c1-2-26-15-5-10-21-20(27)22-11-13-23(14-12-22)28(24,25)19-9-8-17-6-3-4-7-18(17)16-19/h3-4,6-9,16H,2,5,10-15H2,1H3,(H,21,27)