4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(diethylamino)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(diethylamino)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(diethylamino)phenyl]piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(diethylamino)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-(diethylamino)phenyl]piperazine-1-carbothioamide Traditional Name: N-[4-(diethylamino)phenyl]-4-piperonyl-piperazine-1-carbothioamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2S/c1-3-26(4-2)20-8-6-19(7-9-20)24-23(30)27-13-11-25(12-14-27)16-18-5-10-21-22(15-18)29-17-28-21/h5-10,15H,3-4,11-14,16-17H2,1-2H3,(H,24,30)