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

Systemtic Name: N-[3-[(2-azanyl-1,3-benzothiazol-6-yl)amino]-1-(3-methylphenyl)-2-oxidanyl-3-oxidanylidene-propyl]-4-propan-2-yl-benzamide Openeye Name: N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-2-hydroxy-1-(m-tolyl)-3-oxo-propyl]-4-isopropyl-benzamide CAS Name: N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-2-hydroxy-1-(3-methylphenyl)-3-oxopropyl]-4-propan-2-ylbenzamide IUPAC Name: N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-2-hydroxy-1-(3-methylphenyl)-3-oxopropyl]-4-propan-2-ylbenzamide Traditional Name: N-[3-[(2-amino-1,3-benzothiazol-6-yl)amino]-2-hydroxy-3-keto-1-(m-tolyl)propyl]-4-isopropyl-benzamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C27H28N4O3S/c1-15(2)17-7-9-18(10-8-17)25(33)31-23(19-6-4-5-16(3)13-19)24(32)26(34)29-20-11-12-21-22(14-20)35-27(28)30-21/h4-15,23-24,32H,1-3H3,(H2,28,30)(H,29,34)(H,31,33)