N-(3-cyanophenyl)-2-phenethyl-1,3-thiazinane-3-carbothioamide

Systemtic Name: N-(3-cyanophenyl)-2-phenethyl-1,3-thiazinane-3-carbothioamide Openeye Name: N-(3-cyanophenyl)-2-phenethyl-1,3-thiazinane-3-carbothioamide CAS Name: N-(3-cyanophenyl)-2-phenethyl-1,3-thiazinane-3-carbothioamide IUPAC Name: N-(3-cyanophenyl)-2-phenethyl-1,3-thiazinane-3-carbothioamide Traditional Name: N-(3-cyanophenyl)-2-phenethyl-1,3-thiazinane-3-carbothioamide Formula: C20H21N3S2 MolecularWeight: 367.53084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(SC1)CCC2=CC=CC=C2)C(=S)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(C(SC1)CCC2=CC=CC=C2)C(=S)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H21N3S2/c21-15-17-8-4-9-18(14-17)22-20(24)23-12-5-13-25-19(23)11-10-16-6-2-1-3-7-16/h1-4,6-9,14,19H,5,10-13H2,(H,22,24)