1-[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]-3-phenethyl-urea

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]-3-phenethyl-urea Openeye Name: 1-[3-oxo-4-(p-tolylmethyl)-1,4-benzothiazin-6-yl]-3-phenethyl-urea CAS Name: 1-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-3-phenethylurea IUPAC Name: 1-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-3-phenethylurea Traditional Name: 1-[3-keto-4-(4-methylbenzyl)-1,4-benzothiazin-6-yl]-3-phenethyl-urea Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)CSC3=C2C=C(C=C3)NC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)CSC3=C2C=C(C=C3)NC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S/c1-18-7-9-20(10-8-18)16-28-22-15-21(11-12-23(22)31-17-24(28)29)27-25(30)26-14-13-19-5-3-2-4-6-19/h2-12,15H,13-14,16-17H2,1H3,(H2,26,27,30)