S-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazol-2-yl]amino] 4-methylpiperazine-1-carbothioate

Systemtic Name: S-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazol-2-yl]amino] 4-methylpiperazine-1-carbothioate Openeye Name: S-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]thiazol-2-yl]amino] 4-methylpiperazine-1-carbothioate CAS Name: 4-methyl-1-piperazinecarbothioic acid S-[[4-[4-(1-pyrrolidinylmethyl)phenyl]-2-thiazolyl]amino] ester IUPAC Name: S-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazol-2-yl]amino] 4-methylpiperazine-1-carbothioate Traditional Name: 4-methylpiperazine-1-carbothioic acid S-[[4-[4-(pyrrolidinomethyl)phenyl]thiazol-2-yl]amino] ester Formula: C20H27N5OS2 MolecularWeight: 417.59128

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)SNC2=NC(=CS2)C3=CC=C(C=C3)CN4CCCC4

Isomeric SMILES

CN1CCN(CC1)C(=O)SNC2=NC(=CS2)C3=CC=C(C=C3)CN4CCCC4

InChI

InChI=1S/C20H27N5OS2/c1-23-10-12-25(13-11-23)20(26)28-22-19-21-18(15-27-19)17-6-4-16(5-7-17)14-24-8-2-3-9-24/h4-7,15H,2-3,8-14H2,1H3,(H,21,22)