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

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-dimethylaminoethyl)thiourea Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-dimethylaminoethyl)thiourea CAS Name: 1-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(2-dimethylaminoethyl)thiourea IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(2-dimethylaminoethyl)thiourea Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2-dimethylaminoethyl)thiourea Formula: C18H30N4O3S2 MolecularWeight: 414.5858

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

CN(C)CCNC(=S)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C18H30N4O3S2/c1-21(2)13-10-19-18(26)20-16-14-15(8-9-17(16)25-3)27(23,24)22-11-6-4-5-7-12-22/h8-9,14H,4-7,10-13H2,1-3H3,(H2,19,20,26)