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

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]-3-(3-phenylpropyl)urea Openeye Name: 1-[3-oxo-4-(p-tolylmethyl)-1,4-benzothiazin-6-yl]-3-(3-phenylpropyl)urea CAS Name: 1-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-3-(3-phenylpropyl)urea IUPAC Name: 1-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-3-(3-phenylpropyl)urea Traditional Name: 1-[3-keto-4-(4-methylbenzyl)-1,4-benzothiazin-6-yl]-3-(3-phenylpropyl)urea Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)CSC3=C2C=C(C=C3)NC(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)CSC3=C2C=C(C=C3)NC(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2S/c1-19-9-11-21(12-10-19)17-29-23-16-22(13-14-24(23)32-18-25(29)30)28-26(31)27-15-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-14,16H,5,8,15,17-18H2,1H3,(H2,27,28,31)