1-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethyl-thiourea

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethyl-thiourea Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethyl-thiourea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-ethylthiourea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethylthiourea Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethyl-thiourea Formula: C15H23N3O2S2 MolecularWeight: 341.49202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O2S2/c1-2-16-15(21)17-13-7-9-14(10-8-13)22(19,20)18-11-5-3-4-6-12-18/h7-10H,2-6,11-12H2,1H3,(H2,16,17,21)