1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-propan-2-yl-thiourea

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-propan-2-yl-thiourea Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-isopropyl-thiourea CAS Name: 1-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-propan-2-ylthiourea IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-propan-2-ylthiourea Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-isopropyl-thiourea Formula: C17H27N3O3S2 MolecularWeight: 385.54458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3S2/c1-13(2)18-17(24)19-15-12-14(8-9-16(15)23-3)25(21,22)20-10-6-4-5-7-11-20/h8-9,12-13H,4-7,10-11H2,1-3H3,(H2,18,19,24)