1-[(3-iodanylphenyl)carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[(3-iodanylphenyl)carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[(3-iodobenzoyl)amino]-3-pentyl-thiourea CAS Name: 1-[[(3-iodophenyl)-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[(3-iodobenzoyl)amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(3-iodobenzoyl)amino]thiourea Formula: C13H18IN3OS MolecularWeight: 391.27099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CC(=CC=C1)I

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CC(=CC=C1)I

InChI

InChI=1S/C13H18IN3OS/c1-2-3-4-8-15-13(19)17-16-12(18)10-6-5-7-11(14)9-10/h5-7,9H,2-4,8H2,1H3,(H,16,18)(H2,15,17,19)