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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-propan-2-yl-thiourea Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-isopropyl-thiourea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-propan-2-ylthiourea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-propan-2-ylthiourea Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-isopropyl-thiourea Formula: C16H25N3O2S2 MolecularWeight: 355.5186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2S2/c1-13(2)17-16(22)18-14-7-9-15(10-8-14)23(20,21)19-11-5-3-4-6-12-19/h7-10,13H,3-6,11-12H2,1-2H3,(H2,17,18,22)