N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-1-naphthamide Formula: C22H20ClN3OS MolecularWeight: 409.9317

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H20ClN3OS/c23-18-11-6-12-19(20(18)26-13-3-4-14-26)24-22(28)25-21(27)17-10-5-8-15-7-1-2-9-16(15)17/h1-2,5-12H,3-4,13-14H2,(H2,24,25,27,28)