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

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[(1-ethylpyrrolidin-2-yl)methyl]thiourea Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[(1-ethylpyrrolidin-2-yl)methyl]thiourea CAS Name: 1-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-[(1-ethyl-2-pyrrolidinyl)methyl]thiourea IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-[(1-ethylpyrrolidin-2-yl)methyl]thiourea Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[(1-ethylpyrrolidin-2-yl)methyl]thiourea Formula: C21H34N4O3S2 MolecularWeight: 454.64966

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCN1CCCC1CNC(=S)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H34N4O3S2/c1-3-24-12-8-9-17(24)16-22-21(29)23-19-15-18(10-11-20(19)28-2)30(26,27)25-13-6-4-5-7-14-25/h10-11,15,17H,3-9,12-14,16H2,1-2H3,(H2,22,23,29)