1,3-bis[4-(3-oxidanylidene-1,2-oxazol-5-yl)-4-phenyl-pentyl]thiourea

Systemtic Name: 1,3-bis[4-(3-oxidanylidene-1,2-oxazol-5-yl)-4-phenyl-pentyl]thiourea Openeye Name: 1,3-bis[4-(3-oxoisoxazol-5-yl)-4-phenyl-pentyl]thiourea CAS Name: 1,3-bis[4-(3-oxo-5-isoxazolyl)-4-phenylpentyl]thiourea IUPAC Name: 1,3-bis[4-(3-oxo-1,2-oxazol-5-yl)-4-phenylpentyl]thiourea Traditional Name: 1,3-bis[4-(3-keto-4-isoxazolin-5-yl)-4-phenyl-pentyl]thiourea Formula: C29H34N4O4S MolecularWeight: 534.66966

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCNC(=S)NCCCC(C)(C1=CC=CC=C1)C2=CC(=O)NO2)(C3=CC=CC=C3)C4=CC(=O)NO4

Isomeric SMILES

CC(CCCNC(=S)NCCCC(C)(C1=CC=CC=C1)C2=CC(=O)NO2)(C3=CC=CC=C3)C4=CC(=O)NO4

InChI

InChI=1S/C29H34N4O4S/c1-28(21-11-5-3-6-12-21,23-19-25(34)32-36-23)15-9-17-30-27(38)31-18-10-16-29(2,22-13-7-4-8-14-22)24-20-26(35)33-37-24/h3-8,11-14,19-20H,9-10,15-18H2,1-2H3,(H,32,34)(H,33,35)(H2,30,31,38)