N-(3-chlorophenyl)-4-oxidanylidene-3-phenethyl-2-(phenethylamino)-1,3-thiazin-3-ium-6-carboxamide

Systemtic Name: N-(3-chlorophenyl)-4-oxidanylidene-3-phenethyl-2-(phenethylamino)-1,3-thiazin-3-ium-6-carboxamide Openeye Name: N-(3-chlorophenyl)-4-oxo-3-phenethyl-2-(phenethylamino)-1,3-thiazin-3-ium-6-carboxamide CAS Name: N-(3-chlorophenyl)-4-oxo-3-phenethyl-2-(phenethylamino)-1,3-thiazin-3-ium-6-carboxamide IUPAC Name: N-(3-chlorophenyl)-4-oxo-3-phenethyl-2-(phenethylamino)-1,3-thiazin-3-ium-6-carboxamide Traditional Name: N-(3-chlorophenyl)-4-keto-3-phenethyl-2-(phenethylamino)-1,3-thiazin-3-ium-6-carboxamide Formula: C27H25ClN3O2S+ MolecularWeight: 491.0243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=[N+](C(=O)C=C(S2)C(=O)NC3=CC(=CC=C3)Cl)CCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=[N+](C(=O)C=C(S2)C(=O)NC3=CC(=CC=C3)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C27H24ClN3O2S/c28-22-12-7-13-23(18-22)30-26(33)24-19-25(32)31(17-15-21-10-5-2-6-11-21)27(34-24)29-16-14-20-8-3-1-4-9-20/h1-13,18-19H,14-17H2,(H,30,33)/p+1