N-[3-[(2-azanyl-1,3-benzothiazol-6-yl)amino]-1-(3-ethoxyphenyl)-2-oxidanyl-3-oxidanylidene-propyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[3-[(2-azanyl-1,3-benzothiazol-6-yl)amino]-1-(3-ethoxyphenyl)-2-oxidanyl-3-oxidanylidene-propyl]-4-propan-2-yl-benzamide Openeye Name: N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(3-ethoxyphenyl)-2-hydroxy-3-oxo-propyl]-4-isopropyl-benzamide CAS Name: N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(3-ethoxyphenyl)-2-hydroxy-3-oxopropyl]-4-propan-2-ylbenzamide IUPAC Name: N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-1-(3-ethoxyphenyl)-2-hydroxy-3-oxopropyl]-4-propan-2-ylbenzamide Traditional Name: N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-2-hydroxy-3-keto-1-m-phenetyl-propyl]-4-isopropyl-benzamide Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C(C(=O)NC2=CC3=C(C=C2)N=C(S3)N)O)NC(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C(C(=O)NC2=CC3=C(C=C2)N=C(S3)N)O)NC(=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C28H30N4O4S/c1-4-36-21-7-5-6-19(14-21)24(32-26(34)18-10-8-17(9-11-18)16(2)3)25(33)27(35)30-20-12-13-22-23(15-20)37-28(29)31-22/h5-16,24-25,33H,4H2,1-3H3,(H2,29,31)(H,30,35)(H,32,34)