1-[2-(1,2-benzoxazol-3-yl)ethanoylamino]-3-(4-butylphenyl)thiourea

Systemtic Name: 1-[2-(1,2-benzoxazol-3-yl)ethanoylamino]-3-(4-butylphenyl)thiourea Openeye Name: 1-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-(4-butylphenyl)thiourea CAS Name: 1-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]-3-(4-butylphenyl)thiourea IUPAC Name: 1-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-(4-butylphenyl)thiourea Traditional Name: 1-(4-butylphenyl)-3-[(2-indoxazen-3-ylacetyl)amino]thiourea Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CC2=NOC3=CC=CC=C32

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CC2=NOC3=CC=CC=C32

InChI

InChI=1S/C20H22N4O2S/c1-2-3-6-14-9-11-15(12-10-14)21-20(27)23-22-19(25)13-17-16-7-4-5-8-18(16)26-24-17/h4-5,7-12H,2-3,6,13H2,1H3,(H,22,25)(H2,21,23,27)