N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-bromanyl-4-propoxy-benzamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-bromanyl-4-propoxy-benzamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-3-bromo-4-propoxy-benzamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-3-bromo-4-propoxybenzamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-3-bromo-4-propoxybenzamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-3-bromo-4-propoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)N(CCC(=O)N)CC2=CC=CC=C2)Br

InChI

InChI=1S/C21H24BrN3O3S/c1-2-12-28-18-9-8-16(13-17(18)22)20(27)24-21(29)25(11-10-19(23)26)14-15-6-4-3-5-7-15/h3-9,13H,2,10-12,14H2,1H3,(H2,23,26)(H,24,27,29)