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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-methoxyphenyl)thiourea Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O3S2/c1-26-18-8-6-7-17(15-18)22-20(27)21-16-9-11-19(12-10-16)28(24,25)23-13-4-2-3-5-14-23/h6-12,15H,2-5,13-14H2,1H3,(H2,21,22,27)