N-[1-[2-[(2-azanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]-4-phenyl-benzamide

Systemtic Name: N-[1-[2-[(2-azanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]-4-phenyl-benzamide Openeye Name: N-[1-[2-[(2-amino-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl]-2-oxo-azepan-3-yl]-4-phenyl-benzamide CAS Name: N-[1-[2-[(2-amino-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-2-oxo-3-azepanyl]-4-phenylbenzamide IUPAC Name: N-[1-[2-[(2-amino-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide Traditional Name: N-[1-[2-[(2-amino-1,3-benzothiazol-6-yl)amino]-2-keto-ethyl]-2-keto-azepan-3-yl]-4-phenyl-benzamide Formula: C28H27N5O3S MolecularWeight: 513.61068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)NC4=CC5=C(C=C4)N=C(S5)N

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)CC(=O)NC4=CC5=C(C=C4)N=C(S5)N

InChI

InChI=1S/C28H27N5O3S/c29-28-32-22-14-13-21(16-24(22)37-28)30-25(34)17-33-15-5-4-8-23(27(33)36)31-26(35)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-3,6-7,9-14,16,23H,4-5,8,15,17H2,(H2,29,32)(H,30,34)(H,31,35)