1-butyl-3-[[4-(phenylsulfonyl)phenyl]carbonylamino]thiourea

Systemtic Name: 1-butyl-3-[[4-(phenylsulfonyl)phenyl]carbonylamino]thiourea Openeye Name: 1-[[4-(benzenesulfonyl)benzoyl]amino]-3-butyl-thiourea CAS Name: 1-[[[4-(benzenesulfonyl)phenyl]-oxomethyl]amino]-3-butylthiourea IUPAC Name: 1-[[4-(benzenesulfonyl)benzoyl]amino]-3-butylthiourea Traditional Name: 1-[(4-besylbenzoyl)amino]-3-butyl-thiourea Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCNC(=S)NNC(=O)C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O3S2/c1-2-3-13-19-18(25)21-20-17(22)14-9-11-16(12-10-14)26(23,24)15-7-5-4-6-8-15/h4-12H,2-3,13H2,1H3,(H,20,22)(H2,19,21,25)