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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-benzyl-thiourea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-benzylthiourea Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-benzyl-thiourea Formula: C20H25N3O2S2 MolecularWeight: 403.5614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S2/c24-27(25,23-14-6-1-2-7-15-23)19-12-10-18(11-13-19)22-20(26)21-16-17-8-4-3-5-9-17/h3-5,8-13H,1-2,6-7,14-16H2,(H2,21,22,26)