1-[2-azanyl-4-(phenylsulfonyl)phenyl]sulfonyl-3-propan-2-yl-thiourea

Systemtic Name: 1-[2-azanyl-4-(phenylsulfonyl)phenyl]sulfonyl-3-propan-2-yl-thiourea Openeye Name: 1-[2-amino-4-(benzenesulfonyl)phenyl]sulfonyl-3-isopropyl-thiourea CAS Name: 1-[2-amino-4-(benzenesulfonyl)phenyl]sulfonyl-3-propan-2-ylthiourea IUPAC Name: 1-[2-amino-4-(benzenesulfonyl)phenyl]sulfonyl-3-propan-2-ylthiourea Traditional Name: 1-(2-amino-4-besyl-phenyl)sulfonyl-3-isopropyl-thiourea Formula: C16H19N3O4S3 MolecularWeight: 413.53476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NS(=O)(=O)C1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)N

Isomeric SMILES

CC(C)NC(=S)NS(=O)(=O)C1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C16H19N3O4S3/c1-11(2)18-16(24)19-26(22,23)15-9-8-13(10-14(15)17)25(20,21)12-6-4-3-5-7-12/h3-11H,17H2,1-2H3,(H2,18,19,24)