4-azanyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-N-(phenylmethyl)-1,2-thiazole-3-carboxamide

Systemtic Name: 4-azanyl-5-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-N-(phenylmethyl)-1,2-thiazole-3-carboxamide Openeye Name: 4-amino-N-benzyl-5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]isothiazole-3-carboxamide CAS Name: 4-amino-5-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]-N-(phenylmethyl)-3-isothiazolecarboxamide IUPAC Name: 4-amino-N-benzyl-5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1,2-thiazole-3-carboxamide Traditional Name: 4-amino-N-benzyl-5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]isothiazole-3-carboxamide Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=C(C(=NS3)C(=O)NCC4=CC=CC=C4)N

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=C(C(=NS3)C(=O)NCC4=CC=CC=C4)N

InChI

InChI=1S/C23H25N5O3S/c1-31-18-9-5-8-17(14-18)27-10-12-28(13-11-27)23(30)21-19(24)20(26-32-21)22(29)25-15-16-6-3-2-4-7-16/h2-9,14H,10-13,15,24H2,1H3,(H,25,29)