1-butyl-3-[[4-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]carbonylamino]thiourea

Systemtic Name: 1-butyl-3-[[4-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]carbonylamino]thiourea Openeye Name: 1-butyl-3-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]thiourea CAS Name: 1-butyl-3-[[oxo-[4-[(5-phenyl-2-tetrazolyl)methyl]phenyl]methyl]amino]thiourea IUPAC Name: 1-butyl-3-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]thiourea Traditional Name: 1-butyl-3-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]thiourea Formula: C20H23N7OS MolecularWeight: 409.50792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=O)C1=CC=C(C=C1)CN2N=C(N=N2)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=S)NNC(=O)C1=CC=C(C=C1)CN2N=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H23N7OS/c1-2-3-13-21-20(29)24-23-19(28)17-11-9-15(10-12-17)14-27-25-18(22-26-27)16-7-5-4-6-8-16/h4-12H,2-3,13-14H2,1H3,(H,23,28)(H2,21,24,29)