N-(2,5-dimethylphenyl)-4-methanoyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-methanoyl-piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-formyl-piperazine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-formyl-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-formylpiperazine-1-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-4-formyl-piperazine-1-carbothioamide Formula: C14H19N3OS MolecularWeight: 277.38516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCN(CC2)C=O

InChI

InChI=1S/C14H19N3OS/c1-11-3-4-12(2)13(9-11)15-14(19)17-7-5-16(10-18)6-8-17/h3-4,9-10H,5-8H2,1-2H3,(H,15,19)