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

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-5-bromanyl-2-phenethyloxy-benzamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-5-bromo-2-phenethyloxy-benzamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-5-bromo-2-phenethyloxybenzamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-5-bromo-2-phenethyloxybenzamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-5-bromo-2-phenethyloxy-benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)N(CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)Br)C(=O)NC(=S)N(CCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C26H26BrN3O3S/c27-21-11-12-23(33-16-14-19-7-3-1-4-8-19)22(17-21)25(32)29-26(34)30(15-13-24(28)31)18-20-9-5-2-6-10-20/h1-12,17H,13-16,18H2,(H2,28,31)(H,29,32,34)