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

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-cyclopropyl-thiourea Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-cyclopropyl-thiourea CAS Name: 1-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-cyclopropylthiourea IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-cyclopropylthiourea Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-cyclopropyl-thiourea Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=S)NC3CC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=S)NC3CC3

InChI

InChI=1S/C17H25N3O3S2/c1-23-16-9-8-14(12-15(16)19-17(24)18-13-6-7-13)25(21,22)20-10-4-2-3-5-11-20/h8-9,12-13H,2-7,10-11H2,1H3,(H2,18,19,24)