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

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-butyl-thiourea Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-butyl-thiourea CAS Name: 1-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-butylthiourea IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-butylthiourea Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-butyl-thiourea Formula: C18H29N3O3S2 MolecularWeight: 399.57116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S2/c1-3-4-11-19-18(25)20-16-14-15(9-10-17(16)24-2)26(22,23)21-12-7-5-6-8-13-21/h9-10,14H,3-8,11-13H2,1-2H3,(H2,19,20,25)