4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxy-5-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carbothioamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-4-piperonyl-piperazine-1-carbothioamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O3S/c1-15-3-5-18(25-2)17(11-15)22-21(28)24-9-7-23(8-10-24)13-16-4-6-19-20(12-16)27-14-26-19/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,22,28)