N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(5-methanoylthiophen-2-yl)piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-4-(5-methanoylthiophen-2-yl)piperazine-1-carbothioamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(5-formyl-2-thienyl)piperazine-1-carbothioamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-4-(5-formyl-2-thiophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-4-(5-formylthiophen-2-yl)piperazine-1-carbothioamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-(5-formyl-2-thienyl)piperazine-1-carbothioamide Formula: C18H20ClN3OS2 MolecularWeight: 393.9539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CCN(CC2)C3=CC=C(S3)C=O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)N2CCN(CC2)C3=CC=C(S3)C=O)C

InChI

InChI=1S/C18H20ClN3OS2/c1-12-9-13(2)17(15(19)10-12)20-18(24)22-7-5-21(6-8-22)16-4-3-14(11-23)25-16/h3-4,9-11H,5-8H2,1-2H3,(H,20,24)