1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methylpropyl)thiourea

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methylpropyl)thiourea Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-isobutyl-thiourea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(2-methylpropyl)thiourea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methylpropyl)thiourea Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-isobutyl-thiourea Formula: C17H27N3O2S2 MolecularWeight: 369.54518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)CNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H27N3O2S2/c1-14(2)13-18-17(23)19-15-7-9-16(10-8-15)24(21,22)20-11-5-3-4-6-12-20/h7-10,14H,3-6,11-13H2,1-2H3,(H2,18,19,23)