2-[[2-[[3-(aminomethyl)phenyl]carbonylamino]-2-phenyl-ethanoyl]amino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-[[2-[[3-(aminomethyl)phenyl]carbonylamino]-2-phenyl-ethanoyl]amino]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[[2-[[3-(aminomethyl)benzoyl]amino]-2-phenyl-acetyl]amino]-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[2-[[[3-(aminomethyl)phenyl]-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[[2-[[3-(aminomethyl)benzoyl]amino]-2-phenylacetyl]amino]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[[2-[[3-(aminomethyl)benzoyl]amino]-2-phenyl-acetyl]amino]-1,3-benzothiazole-6-carboxamide Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)N)NC(=O)C4=CC(=CC=C4)CN

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)N)NC(=O)C4=CC(=CC=C4)CN

InChI

InChI=1S/C24H21N5O3S/c25-13-14-5-4-8-17(11-14)22(31)28-20(15-6-2-1-3-7-15)23(32)29-24-27-18-10-9-16(21(26)30)12-19(18)33-24/h1-12,20H,13,25H2,(H2,26,30)(H,28,31)(H,27,29,32)