N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]naphthalene-2-carboxamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-2-naphthamide Formula: C22H20ClN3OS MolecularWeight: 409.9317

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C=C3)Cl

InChI

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