N-(4-morpholin-4-ylsulfonylphenyl)-4-propyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-propyl-piperazine-1-carbothioamide Openeye Name: N-(4-morpholinosulfonylphenyl)-4-propyl-piperazine-1-carbothioamide CAS Name: N-[4-(4-morpholinylsulfonyl)phenyl]-4-propyl-1-piperazinecarbothioamide IUPAC Name: N-(4-morpholin-4-ylsulfonylphenyl)-4-propylpiperazine-1-carbothioamide Traditional Name: N-(4-morpholinosulfonylphenyl)-4-propyl-piperazine-1-carbothioamide Formula: C18H28N4O3S2 MolecularWeight: 412.56992

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCN1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H28N4O3S2/c1-2-7-20-8-10-21(11-9-20)18(26)19-16-3-5-17(6-4-16)27(23,24)22-12-14-25-15-13-22/h3-6H,2,7-15H2,1H3,(H,19,26)