S-[(4-phenyl-1,3-thiazol-2-yl)amino] 4-[3,6-bis(diethylamino)pyridin-2-yl]piperazine-1-carbothioate

Systemtic Name: S-[(4-phenyl-1,3-thiazol-2-yl)amino] 4-[3,6-bis(diethylamino)pyridin-2-yl]piperazine-1-carbothioate Openeye Name: S-[(4-phenylthiazol-2-yl)amino] 4-[3,6-bis(diethylamino)-2-pyridyl]piperazine-1-carbothioate CAS Name: 4-[3,6-bis(diethylamino)-2-pyridinyl]-1-piperazinecarbothioic acid S-[(4-phenyl-2-thiazolyl)amino] ester IUPAC Name: S-[(4-phenyl-1,3-thiazol-2-yl)amino] 4-[3,6-bis(diethylamino)pyridin-2-yl]piperazine-1-carbothioate Traditional Name: 4-[3,6-bis(diethylamino)-2-pyridyl]piperazine-1-carbothioic acid S-[(4-phenylthiazol-2-yl)amino] ester Formula: C27H37N7OS2 MolecularWeight: 539.75898

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(N=C(C=C1)N(CC)CC)N2CCN(CC2)C(=O)SNC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)C1=C(N=C(C=C1)N(CC)CC)N2CCN(CC2)C(=O)SNC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C27H37N7OS2/c1-5-31(6-2)23-14-15-24(32(7-3)8-4)29-25(23)33-16-18-34(19-17-33)27(35)37-30-26-28-22(20-36-26)21-12-10-9-11-13-21/h9-15,20H,5-8,16-19H2,1-4H3,(H,28,30)