N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-4-bromanyl-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-4-bromanyl-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-4-bromo-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[(4-benzamido-3-methylanilino)-sulfanylidenemethyl]-4-bromo-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[(4-benzamido-3-methylphenyl)carbamothioyl]-4-bromo-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[(4-benzamido-3-methyl-phenyl)thiocarbamoyl]-4-bromo-3-methoxy-2-naphthamide Formula: C27H22BrN3O3S MolecularWeight: 548.45088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H22BrN3O3S/c1-16-14-19(12-13-22(16)30-25(32)17-8-4-3-5-9-17)29-27(35)31-26(33)21-15-18-10-6-7-11-20(18)23(28)24(21)34-2/h3-15H,1-2H3,(H,30,32)(H2,29,31,33,35)