1-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-3-benzyl-thiourea CAS Name: 1-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-3-benzylthiourea Traditional Name: 1-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-3-benzyl-thiourea Formula: C20H24ClN3O2S2 MolecularWeight: 438.00646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O2S2/c21-18-11-10-17(28(25,26)24-12-6-1-2-7-13-24)14-19(18)23-20(27)22-15-16-8-4-3-5-9-16/h3-5,8-11,14H,1-2,6-7,12-13,15H2,(H2,22,23,27)