N-(2,6-diethylphenyl)-4-methanoyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,6-diethylphenyl)-4-methanoyl-piperazine-1-carbothioamide Openeye Name: N-(2,6-diethylphenyl)-4-formyl-piperazine-1-carbothioamide CAS Name: N-(2,6-diethylphenyl)-4-formyl-1-piperazinecarbothioamide IUPAC Name: N-(2,6-diethylphenyl)-4-formylpiperazine-1-carbothioamide Traditional Name: N-(2,6-diethylphenyl)-4-formyl-piperazine-1-carbothioamide Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN(CC2)C=O

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)N2CCN(CC2)C=O

InChI

InChI=1S/C16H23N3OS/c1-3-13-6-5-7-14(4-2)15(13)17-16(21)19-10-8-18(12-20)9-11-19/h5-7,12H,3-4,8-11H2,1-2H3,(H,17,21)