1-[(6-chloranyl-4-oxidanylidene-chromen-2-yl)carbonylamino]-3-pentyl-thiourea

Systemtic Name: 1-[(6-chloranyl-4-oxidanylidene-chromen-2-yl)carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[(6-chloro-4-oxo-chromene-2-carbonyl)amino]-3-pentyl-thiourea CAS Name: 1-[[(6-chloro-4-oxo-1-benzopyran-2-yl)-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[(6-chloro-4-oxochromene-2-carbonyl)amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[(6-chloro-4-keto-chromene-2-carbonyl)amino]thiourea Formula: C16H18ClN3O3S MolecularWeight: 367.85042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)Cl

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)Cl

InChI

InChI=1S/C16H18ClN3O3S/c1-2-3-4-7-18-16(24)20-19-15(22)14-9-12(21)11-8-10(17)5-6-13(11)23-14/h5-6,8-9H,2-4,7H2,1H3,(H,19,22)(H2,18,20,24)