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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-methyl-thiourea Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-methyl-thiourea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-methylthiourea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-methylthiourea Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-methyl-thiourea Formula: C14H21N3O2S2 MolecularWeight: 327.46544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S2/c1-15-14(20)16-12-6-8-13(9-7-12)21(18,19)17-10-4-2-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,20)