1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-methylprop-2-enyl)thiourea

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-methylprop-2-enyl)thiourea Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-methylallyl)thiourea CAS Name: 1-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(2-methylprop-2-enyl)thiourea IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(2-methylprop-2-enyl)thiourea Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-methylallyl)thiourea Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3S2/c1-14(2)13-19-18(25)20-16-12-15(8-9-17(16)24-3)26(22,23)21-10-6-4-5-7-11-21/h8-9,12H,1,4-7,10-11,13H2,2-3H3,(H2,19,20,25)