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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenethyl-thiourea Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenethyl-thiourea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-phenethylthiourea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenethylthiourea Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenethyl-thiourea Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S2/c25-28(26,24-16-6-1-2-7-17-24)20-12-10-19(11-13-20)23-21(27)22-15-14-18-8-4-3-5-9-18/h3-5,8-13H,1-2,6-7,14-17H2,(H2,22,23,27)