N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-5-bromanyl-2-(2-methoxyethoxy)benzamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-5-bromanyl-2-(2-methoxyethoxy)benzamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-5-bromo-2-(2-methoxyethoxy)benzamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-5-bromo-2-(2-methoxyethoxy)benzamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-5-bromo-2-(2-methoxyethoxy)benzamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-5-bromo-2-(2-methoxyethoxy)benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C21H24BrN3O4S/c1-28-11-12-29-18-8-7-16(22)13-17(18)20(27)24-21(30)25(10-9-19(23)26)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H2,23,26)(H,24,27,30)