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

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]-3-(thiophen-2-ylmethyl)urea Openeye Name: 1-[3-oxo-4-(p-tolylmethyl)-1,4-benzothiazin-6-yl]-3-(2-thienylmethyl)urea CAS Name: 1-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-3-(thiophen-2-ylmethyl)urea IUPAC Name: 1-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-3-(thiophen-2-ylmethyl)urea Traditional Name: 1-[3-keto-4-(4-methylbenzyl)-1,4-benzothiazin-6-yl]-3-(2-thenyl)urea Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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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=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)CSC3=C2C=C(C=C3)NC(=O)NCC4=CC=CS4

InChI

InChI=1S/C22H21N3O2S2/c1-15-4-6-16(7-5-15)13-25-19-11-17(8-9-20(19)29-14-21(25)26)24-22(27)23-12-18-3-2-10-28-18/h2-11H,12-14H2,1H3,(H2,23,24,27)