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

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-cyclopentyl-thiourea Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-cyclopentyl-thiourea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-cyclopentylthiourea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-cyclopentylthiourea Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-cyclopentyl-thiourea Formula: C18H27N3O2S2 MolecularWeight: 381.55588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3CCCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3CCCC3

InChI

InChI=1S/C18H27N3O2S2/c22-25(23,21-13-5-1-2-6-14-21)17-11-9-16(10-12-17)20-18(24)19-15-7-3-4-8-15/h9-12,15H,1-8,13-14H2,(H2,19,20,24)