1-(3-methylbutyl)-3-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]thiourea Openeye Name: 1-isopentyl-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[oxo-(3-phenyl-2,1-benzoxazol-5-yl)methyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]thiourea Traditional Name: 1-isoamyl-3-[(3-phenylanthranil-5-carbonyl)amino]thiourea Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-13(2)10-11-21-20(27)23-22-19(25)15-8-9-17-16(12-15)18(26-24-17)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)(H2,21,23,27)