2-[[3-[(4-ethanoylpiperazin-1-yl)methyl]-5-methyl-phenyl]amino]-1,3-thiazole-5-carbonitrile

Systemtic Name: 2-[[3-[(4-ethanoylpiperazin-1-yl)methyl]-5-methyl-phenyl]amino]-1,3-thiazole-5-carbonitrile Openeye Name: 2-[3-[(4-acetylpiperazin-1-yl)methyl]-5-methyl-anilino]thiazole-5-carbonitrile CAS Name: 2-[3-[(4-acetyl-1-piperazinyl)methyl]-5-methylanilino]-5-thiazolecarbonitrile IUPAC Name: 2-[3-[(4-acetylpiperazin-1-yl)methyl]-5-methylanilino]-1,3-thiazole-5-carbonitrile Traditional Name: 2-[3-[(4-acetylpiperazino)methyl]-5-methyl-anilino]thiazole-5-carbonitrile Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=C(S2)C#N)CN3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=C(S2)C#N)CN3CCN(CC3)C(=O)C

InChI

InChI=1S/C18H21N5OS/c1-13-7-15(12-22-3-5-23(6-4-22)14(2)24)9-16(8-13)21-18-20-11-17(10-19)25-18/h7-9,11H,3-6,12H2,1-2H3,(H,20,21)