N-(1,3-benzodioxol-5-ylmethyl)-4-(2-cyanophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-cyanophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-cyanophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-cyanophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-cyanophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: 4-(2-cyanophenyl)sulfonyl-N-piperonyl-piperazine-1-carbothioamide Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H20N4O4S2/c21-12-16-3-1-2-4-19(16)30(25,26)24-9-7-23(8-10-24)20(29)22-13-15-5-6-17-18(11-15)28-14-27-17/h1-6,11H,7-10,13-14H2,(H,22,29)