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

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]-3-(pyridin-3-ylmethyl)urea Openeye Name: 1-[3-oxo-4-(p-tolylmethyl)-1,4-benzothiazin-6-yl]-3-(3-pyridylmethyl)urea CAS Name: 1-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-3-(3-pyridinylmethyl)urea IUPAC Name: 1-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-3-(pyridin-3-ylmethyl)urea Traditional Name: 1-[3-keto-4-(4-methylbenzyl)-1,4-benzothiazin-6-yl]-3-(3-pyridylmethyl)urea Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)CSC3=C2C=C(C=C3)NC(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)CSC3=C2C=C(C=C3)NC(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H22N4O2S/c1-16-4-6-17(7-5-16)14-27-20-11-19(8-9-21(20)30-15-22(27)28)26-23(29)25-13-18-3-2-10-24-12-18/h2-12H,13-15H2,1H3,(H2,25,26,29)