1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 1-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-[[(2R)-2-oxolanyl]methyl]thiourea IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C19H29N3O4S2 MolecularWeight: 427.58126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=S)NCC3CCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C19H29N3O4S2/c1-25-18-9-8-16(28(23,24)22-10-4-2-3-5-11-22)13-17(18)21-19(27)20-14-15-7-6-12-26-15/h8-9,13,15H,2-7,10-12,14H2,1H3,(H2,20,21,27)/t15-/m1/s1