N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide Openeye Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)thiazole-4-carboxamide CAS Name: N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]-2-(4-methoxyphenyl)-4-thiazolecarboxamide IUPAC Name: N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide Traditional Name: N-[3-chloro-4-(3-ketopiperazino)phenyl]-2-(4-methoxyphenyl)thiazole-4-carboxamide Formula: C21H19ClN4O3S MolecularWeight: 442.91856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NC3=CC(=C(C=C3)N4CCNC(=O)C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NC3=CC(=C(C=C3)N4CCNC(=O)C4)Cl

InChI

InChI=1S/C21H19ClN4O3S/c1-29-15-5-2-13(3-6-15)21-25-17(12-30-21)20(28)24-14-4-7-18(16(22)10-14)26-9-8-23-19(27)11-26/h2-7,10,12H,8-9,11H2,1H3,(H,23,27)(H,24,28)