1-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-(2-phenylsulfanylethyl)thiourea

Systemtic Name: 1-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-3-(2-phenylsulfanylethyl)thiourea Openeye Name: 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(2-phenylsulfanylethyl)thiourea CAS Name: 1-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-3-[2-(phenylthio)ethyl]thiourea IUPAC Name: 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(2-phenylsulfanylethyl)thiourea Traditional Name: 1-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-[2-(phenylthio)ethyl]thiourea Formula: C14H15BrN4OS2 MolecularWeight: 399.3291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=S)NNC(=O)C2=CC(=CN2)Br

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=S)NNC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C14H15BrN4OS2/c15-10-8-12(17-9-10)13(20)18-19-14(21)16-6-7-22-11-4-2-1-3-5-11/h1-5,8-9,17H,6-7H2,(H,18,20)(H2,16,19,21)