1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methoxyethyl)thiourea

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methoxyethyl)thiourea Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methoxyethyl)thiourea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(2-methoxyethyl)thiourea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methoxyethyl)thiourea Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-methoxyethyl)thiourea Formula: C16H25N3O3S2 MolecularWeight: 371.518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3S2/c1-22-13-10-17-16(23)18-14-6-8-15(9-7-14)24(20,21)19-11-4-2-3-5-12-19/h6-9H,2-5,10-13H2,1H3,(H2,17,18,23)