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

Systemtic Name: 4-bromanyl-3-methoxy-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]naphthalene-2-carboxamide Openeye Name: 4-bromo-3-methoxy-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]naphthalene-2-carboxamide CAS Name: 4-bromo-3-methoxy-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 4-bromo-3-methoxy-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]naphthalene-2-carboxamide Traditional Name: 4-bromo-3-methoxy-N-[(4-pyrrolidinophenyl)thiocarbamoyl]-2-naphthamide Formula: C23H22BrN3O2S MolecularWeight: 484.40868

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN3O2S/c1-29-21-19(14-15-6-2-3-7-18(15)20(21)24)22(28)26-23(30)25-16-8-10-17(11-9-16)27-12-4-5-13-27/h2-3,6-11,14H,4-5,12-13H2,1H3,(H2,25,26,28,30)