N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-5-bromanyl-naphthalene-1-carboxamide

Systemtic Name: N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-5-bromanyl-naphthalene-1-carboxamide Openeye Name: N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-5-bromo-naphthalene-1-carboxamide CAS Name: N-[(4-benzamido-3-methylanilino)-sulfanylidenemethyl]-5-bromo-1-naphthalenecarboxamide IUPAC Name: N-[(4-benzamido-3-methylphenyl)carbamothioyl]-5-bromonaphthalene-1-carboxamide Traditional Name: N-[(4-benzamido-3-methyl-phenyl)thiocarbamoyl]-5-bromo-1-naphthamide Formula: C26H20BrN3O2S MolecularWeight: 518.4249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H20BrN3O2S/c1-16-15-18(13-14-23(16)29-24(31)17-7-3-2-4-8-17)28-26(33)30-25(32)21-11-5-10-20-19(21)9-6-12-22(20)27/h2-15H,1H3,(H,29,31)(H2,28,30,32,33)