N-[2-[(2-azanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide

Systemtic Name: N-[2-[(2-azanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide Openeye Name: N-[2-[(2-amino-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl]-2-(benzylsulfonylamino)-3-phenyl-propanamide CAS Name: N-[2-[(2-amino-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanamide IUPAC Name: N-[2-[(2-amino-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-2-(benzylsulfonylamino)-3-phenylpropanamide Traditional Name: N-[2-[(2-amino-1,3-benzothiazol-6-yl)amino]-2-keto-ethyl]-2-(benzylsulfonylamino)-3-phenyl-propionamide Formula: C25H25N5O4S2 MolecularWeight: 523.6271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC(=O)NC2=CC3=C(C=C2)N=C(S3)N)NS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCC(=O)NC2=CC3=C(C=C2)N=C(S3)N)NS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H25N5O4S2/c26-25-29-20-12-11-19(14-22(20)35-25)28-23(31)15-27-24(32)21(13-17-7-3-1-4-8-17)30-36(33,34)16-18-9-5-2-6-10-18/h1-12,14,21,30H,13,15-16H2,(H2,26,29)(H,27,32)(H,28,31)