1-(4-butylphenyl)-3-[(2-oxidanylidenechromen-3-yl)carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[(2-oxidanylidenechromen-3-yl)carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[(2-oxochromene-3-carbonyl)amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[(2-oxochromene-3-carbonyl)amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(2-ketochromene-3-carbonyl)amino]thiourea Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C21H21N3O3S/c1-2-3-6-14-9-11-16(12-10-14)22-21(28)24-23-19(25)17-13-15-7-4-5-8-18(15)27-20(17)26/h4-5,7-13H,2-3,6H2,1H3,(H,23,25)(H2,22,24,28)