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

Systemtic Name: 4-bromanyl-N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C23H21BrClN3O2S MolecularWeight: 518.85374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC(=C(C=C3)N4CCCC4)Cl)Br

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC(=C(C=C3)N4CCCC4)Cl)Br

InChI

InChI=1S/C23H21BrClN3O2S/c1-30-21-17(12-14-6-2-3-7-16(14)20(21)24)22(29)27-23(31)26-15-8-9-19(18(25)13-15)28-10-4-5-11-28/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H2,26,27,29,31)