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

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

Systemtic Name:1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-butan-2-ylphenyl)thiourea
Openeye Name:1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-sec-butylphenyl)thiourea
CAS Name:1-[4-(1-azepanylsulfonyl)phenyl]-3-(4-butan-2-ylphenyl)thiourea
IUPAC Name:1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-butan-2-ylphenyl)thiourea
Traditional Name:1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-sec-butylphenyl)thiourea
Formula: C23H31N3O2S2
MolecularWeight: 445.64114
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C23H31N3O2S2/c1-3-18(2)19-8-10-20(11-9-19)24-23(29)25-21-12-14-22(15-13-21)30(27,28)26-16-6-4-5-7-17-26/h8-15,18H,3-7,16-17H2,1-2H3,(H2,24,25,29)


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