N-(3-chloranyl-2-propan-2-yl-phenyl)-2-(3-cyanophenyl)-1,3-thiazinane-3-carbothioamide

Systemtic Name: N-(3-chloranyl-2-propan-2-yl-phenyl)-2-(3-cyanophenyl)-1,3-thiazinane-3-carbothioamide Openeye Name: N-(3-chloro-2-isopropyl-phenyl)-2-(3-cyanophenyl)-1,3-thiazinane-3-carbothioamide CAS Name: N-(3-chloro-2-propan-2-ylphenyl)-2-(3-cyanophenyl)-1,3-thiazinane-3-carbothioamide IUPAC Name: N-(3-chloro-2-propan-2-ylphenyl)-2-(3-cyanophenyl)-1,3-thiazinane-3-carbothioamide Traditional Name: N-(3-chloro-2-isopropyl-phenyl)-2-(3-cyanophenyl)-1,3-thiazinane-3-carbothioamide Formula: C21H22ClN3S2 MolecularWeight: 416.00248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC=C1Cl)NC(=S)N2CCCSC2C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C)C1=C(C=CC=C1Cl)NC(=S)N2CCCSC2C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H22ClN3S2/c1-14(2)19-17(22)8-4-9-18(19)24-21(26)25-10-5-11-27-20(25)16-7-3-6-15(12-16)13-23/h3-4,6-9,12,14,20H,5,10-11H2,1-2H3,(H,24,26)