N-(4-bromanyl-3-methyl-phenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide Formula: C19H22BrN3OS MolecularWeight: 420.36648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)OC)Br

InChI

InChI=1S/C19H22BrN3OS/c1-14-12-15(6-7-18(14)20)21-19(25)23-10-8-22(9-11-23)16-4-3-5-17(13-16)24-2/h3-7,12-13H,8-11H2,1-2H3,(H,21,25)