1-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-3-tert-butyl-thiourea

Systemtic Name: 1-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-3-tert-butyl-thiourea Openeye Name: 1-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-3-tert-butyl-thiourea CAS Name: 1-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-3-tert-butylthiourea IUPAC Name: 1-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-3-tert-butylthiourea Traditional Name: 1-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-3-tert-butyl-thiourea Formula: C18H28N4O3S2 MolecularWeight: 412.56992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H28N4O3S2/c1-18(2,3)19-17(26)21-20-16(23)14-8-10-15(11-9-14)27(24,25)22-12-6-4-5-7-13-22/h8-11H,4-7,12-13H2,1-3H3,(H,20,23)(H2,19,21,26)