1-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-3-pentyl-thiourea CAS Name: 1-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]thiourea Formula: C19H30N4O3S2 MolecularWeight: 426.5965

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C19H30N4O3S2/c1-2-3-6-13-20-19(27)22-21-18(24)16-9-11-17(12-10-16)28(25,26)23-14-7-4-5-8-15-23/h9-12H,2-8,13-15H2,1H3,(H,21,24)(H2,20,22,27)