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1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)thiourea

1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)thiourea

Systemtic Name:1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)thiourea
Openeye Name:1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)thiourea
CAS Name:1-[4-(1-azepanylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)thiourea
IUPAC Name:1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)thiourea
Traditional Name:1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)thiourea
Formula: C21H27N3O4S2
MolecularWeight: 449.58678
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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)OC


Isomeric SMILES

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


InChI

InChI=1S/C21H27N3O4S2/c1-27-18-13-17(14-19(15-18)28-2)23-21(29)22-16-7-9-20(10-8-16)30(25,26)24-11-5-3-4-6-12-24/h7-10,13-15H,3-6,11-12H2,1-2H3,(H2,22,23,29)


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