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

Systemtic Name: 1-[[4-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]carbonylamino]-3-propyl-thiourea Openeye Name: 1-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]-3-propyl-thiourea CAS Name: 1-[[oxo-[4-[(5-phenyl-2-tetrazolyl)methyl]phenyl]methyl]amino]-3-propylthiourea IUPAC Name: 1-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]-3-propylthiourea Traditional Name: 1-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]-3-propyl-thiourea Formula: C19H21N7OS MolecularWeight: 395.48134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N7OS/c1-2-12-20-19(28)23-22-18(27)16-10-8-14(9-11-16)13-26-24-17(21-25-26)15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,22,27)(H2,20,23,28)