1-[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]-3-(4-phenylbutan-2-yl)urea

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]-3-(4-phenylbutan-2-yl)urea Openeye Name: 1-(1-methyl-3-phenyl-propyl)-3-[3-oxo-4-(p-tolylmethyl)-1,4-benzothiazin-6-yl]urea CAS Name: 1-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-3-(4-phenylbutan-2-yl)urea IUPAC Name: 1-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-3-(4-phenylbutan-2-yl)urea Traditional Name: 1-[3-keto-4-(4-methylbenzyl)-1,4-benzothiazin-6-yl]-3-(1-methyl-3-phenyl-propyl)urea Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)CSC3=C2C=C(C=C3)NC(=O)NC(C)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)CSC3=C2C=C(C=C3)NC(=O)NC(C)CCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2S/c1-19-8-11-22(12-9-19)17-30-24-16-23(14-15-25(24)33-18-26(30)31)29-27(32)28-20(2)10-13-21-6-4-3-5-7-21/h3-9,11-12,14-16,20H,10,13,17-18H2,1-2H3,(H2,28,29,32)