1-(3-azanyl-5-chloranyl-thiophen-2-yl)sulfonyl-3-octan-2-yl-thiourea

Systemtic Name: 1-(3-azanyl-5-chloranyl-thiophen-2-yl)sulfonyl-3-octan-2-yl-thiourea Openeye Name: 1-[(3-amino-5-chloro-2-thienyl)sulfonyl]-3-(1-methylheptyl)thiourea CAS Name: 1-[(3-amino-5-chloro-2-thiophenyl)sulfonyl]-3-octan-2-ylthiourea IUPAC Name: 1-(3-amino-5-chlorothiophen-2-yl)sulfonyl-3-octan-2-ylthiourea Traditional Name: 1-[(3-amino-5-chloro-2-thienyl)sulfonyl]-3-(1-methylheptyl)thiourea Formula: C13H22ClN3O2S3 MolecularWeight: 383.98068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(=S)NS(=O)(=O)C1=C(C=C(S1)Cl)N

Isomeric SMILES

CCCCCCC(C)NC(=S)NS(=O)(=O)C1=C(C=C(S1)Cl)N

InChI

InChI=1S/C13H22ClN3O2S3/c1-3-4-5-6-7-9(2)16-13(20)17-22(18,19)12-10(15)8-11(14)21-12/h8-9H,3-7,15H2,1-2H3,(H2,16,17,20)