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

Systemtic Name: 1-butan-2-yl-3-[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]urea Openeye Name: 1-[3-oxo-4-(p-tolylmethyl)-1,4-benzothiazin-6-yl]-3-sec-butyl-urea CAS Name: 1-butan-2-yl-3-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]urea IUPAC Name: 1-butan-2-yl-3-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]urea Traditional Name: 1-[3-keto-4-(4-methylbenzyl)-1,4-benzothiazin-6-yl]-3-sec-butyl-urea Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC1=CC2=C(C=C1)SCC(=O)N2CC3=CC=C(C=C3)C

Isomeric SMILES

CCC(C)NC(=O)NC1=CC2=C(C=C1)SCC(=O)N2CC3=CC=C(C=C3)C

InChI

InChI=1S/C21H25N3O2S/c1-4-15(3)22-21(26)23-17-9-10-19-18(11-17)24(20(25)13-27-19)12-16-7-5-14(2)6-8-16/h5-11,15H,4,12-13H2,1-3H3,(H2,22,23,26)