4-bromanyl-N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[(2,3-dimethyl-6-nitro-phenyl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[(2,3-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[(2,3-dimethyl-6-nitrophenyl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-N-[(2,3-dimethyl-6-nitro-phenyl)thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C21H18BrN3O4S MolecularWeight: 488.35432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)C

InChI

InChI=1S/C21H18BrN3O4S/c1-11-8-9-16(25(27)28)18(12(11)2)23-21(30)24-20(26)15-10-13-6-4-5-7-14(13)17(22)19(15)29-3/h4-10H,1-3H3,(H2,23,24,26,30)