N-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide

Systemtic Name: N-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide Openeye Name: N-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)thiazol-2-yl]piperazine-1-carbothioamide CAS Name: N-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide Traditional Name: N-(2-chlorophenyl)-4-[4-(3-methoxyphenyl)thiazol-2-yl]piperazine-1-carbothioamide Formula: C21H21ClN4OS2 MolecularWeight: 445.00064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CSC(=N2)N3CCN(CC3)C(=S)NC4=CC=CC=C4Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2=CSC(=N2)N3CCN(CC3)C(=S)NC4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClN4OS2/c1-27-16-6-4-5-15(13-16)19-14-29-21(24-19)26-11-9-25(10-12-26)20(28)23-18-8-3-2-7-17(18)22/h2-8,13-14H,9-12H2,1H3,(H,23,28)