4-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-1-phenylethyl]piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-1-phenylethyl]piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-1-phenylethyl]piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-1-phenylethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[(1S)-1-phenylethyl]piperazine-1-carbothioamide Traditional Name: N-[(1S)-1-phenylethyl]-4-piperonyl-piperazine-1-carbothioamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O2S/c1-16(18-5-3-2-4-6-18)22-21(27)24-11-9-23(10-12-24)14-17-7-8-19-20(13-17)26-15-25-19/h2-8,13,16H,9-12,14-15H2,1H3,(H,22,27)/t16-/m0/s1