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

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3-ethoxypropyl)thiourea Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3-ethoxypropyl)thiourea CAS Name: 1-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(3-ethoxypropyl)thiourea IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(3-ethoxypropyl)thiourea Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3-ethoxypropyl)thiourea Formula: C19H31N3O4S2 MolecularWeight: 429.59714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O4S2/c1-3-26-14-8-11-20-19(27)21-17-15-16(9-10-18(17)25-2)28(23,24)22-12-6-4-5-7-13-22/h9-10,15H,3-8,11-14H2,1-2H3,(H2,20,21,27)