4-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoyl]amino]-N-cyclopropyl-benzamide

Systemtic Name: 4-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoyl]amino]-N-cyclopropyl-benzamide Openeye Name: 4-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoyl]amino]-N-cyclopropyl-benzamide CAS Name: 4-[[3-(1,3-benzothiazol-2-yl)-2-methyl-1-oxo-2-phenylpropyl]amino]-N-cyclopropylbenzamide IUPAC Name: 4-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoyl]amino]-N-cyclopropylbenzamide Traditional Name: 4-[[3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoyl]amino]-N-cyclopropyl-benzamide Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5CC5

Isomeric SMILES

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5CC5

InChI

InChI=1S/C27H25N3O2S/c1-27(19-7-3-2-4-8-19,17-24-30-22-9-5-6-10-23(22)33-24)26(32)29-21-13-11-18(12-14-21)25(31)28-20-15-16-20/h2-14,20H,15-17H2,1H3,(H,28,31)(H,29,32)