4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]piperazine-1-carbothioamide Traditional Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-piperonyl-piperazine-1-carbothioamide Formula: C27H26N4O2S2 MolecularWeight: 502.65094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H26N4O2S2/c1-18-2-8-22-25(14-18)35-26(29-22)20-4-6-21(7-5-20)28-27(34)31-12-10-30(11-13-31)16-19-3-9-23-24(15-19)33-17-32-23/h2-9,14-15H,10-13,16-17H2,1H3,(H,28,34)