N-(3-chloranyl-2-methyl-phenyl)-4-(3-hydroxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-(3-hydroxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-(3-hydroxyphenyl)piperazine-1-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-4-(3-hydroxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-(3-hydroxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-(3-hydroxyphenyl)piperazine-1-carbothioamide Formula: C18H20ClN3OS MolecularWeight: 361.8889

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O

InChI

InChI=1S/C18H20ClN3OS/c1-13-16(19)6-3-7-17(13)20-18(24)22-10-8-21(9-11-22)14-4-2-5-15(23)12-14/h2-7,12,23H,8-11H2,1H3,(H,20,24)