N-(4-methyl-2-morpholin-4-yl-quinolin-6-yl)-4-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-methyl-2-morpholin-4-yl-quinolin-6-yl)-4-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzyl-N-(4-methyl-2-morpholino-6-quinolyl)piperazine-1-carbothioamide CAS Name: N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]-4-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)piperazine-1-carbothioamide Traditional Name: 4-benzyl-N-(4-methyl-2-morpholino-6-quinolyl)piperazine-1-carbothioamide Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C26H31N5OS/c1-20-17-25(30-13-15-32-16-14-30)28-24-8-7-22(18-23(20)24)27-26(33)31-11-9-29(10-12-31)19-21-5-3-2-4-6-21/h2-8,17-18H,9-16,19H2,1H3,(H,27,33)