N-(3-chloranyl-4-pyrrolidin-1-yl-phenyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-(3-chloranyl-4-pyrrolidin-1-yl-phenyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-(3-chloro-4-pyrrolidin-1-yl-phenyl)-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (3-chloro-4-pyrrolidino-phenyl)-(1,1-diketo-1,2-benzothiazol-3-yl)amine Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC3=NS(=O)(=O)C4=CC=CC=C43)Cl

InChI

InChI=1S/C17H16ClN3O2S/c18-14-11-12(7-8-15(14)21-9-3-4-10-21)19-17-13-5-1-2-6-16(13)24(22,23)20-17/h1-2,5-8,11H,3-4,9-10H2,(H,19,20)