N-(1,3-benzodioxol-5-yl)-4-(5-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(5-chloranyl-2-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methylphenyl)piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(5-chloro-2-methyl-phenyl)piperazine-1-carbothioamide Formula: C19H20ClN3O2S MolecularWeight: 389.899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20ClN3O2S/c1-13-2-3-14(20)10-16(13)22-6-8-23(9-7-22)19(26)21-15-4-5-17-18(11-15)25-12-24-17/h2-5,10-11H,6-9,12H2,1H3,(H,21,26)