N-(2-chloranyl-6-methyl-phenyl)-2-[(1-oxidanyl-3-phenyl-propan-2-yl)carbamoylamino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[(1-oxidanyl-3-phenyl-propan-2-yl)carbamoylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[(1-benzyl-2-hydroxy-ethyl)carbamoylamino]-N-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[[(1-hydroxy-3-phenylpropan-2-yl)amino]-oxomethyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[(1-hydroxy-3-phenylpropan-2-yl)carbamoylamino]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[(1-benzyl-2-hydroxy-ethyl)carbamoylamino]-N-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide Formula: C25H23ClN4O3S MolecularWeight: 494.99312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC(CC4=CC=CC=C4)CO

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC(CC4=CC=CC=C4)CO

InChI

InChI=1S/C25H23ClN4O3S/c1-15-6-5-9-19(26)22(15)29-23(32)17-10-11-20-21(13-17)34-25(28-20)30-24(33)27-18(14-31)12-16-7-3-2-4-8-16/h2-11,13,18,31H,12,14H2,1H3,(H,29,32)(H2,27,28,30,33)