1-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]-3-pentyl-thiourea

Systemtic Name: 1-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]-3-pentyl-thiourea Openeye Name: 1-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-3-pentyl-thiourea CAS Name: 1-[[1-oxo-3-(3-oxo-1,4-benzoxazin-4-yl)propyl]amino]-3-pentylthiourea IUPAC Name: 1-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-3-pentylthiourea Traditional Name: 1-amyl-3-[3-(3-keto-1,4-benzoxazin-4-yl)propanoylamino]thiourea Formula: C17H24N4O3S MolecularWeight: 364.46246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)CCN1C(=O)COC2=CC=CC=C21

Isomeric SMILES

CCCCCNC(=S)NNC(=O)CCN1C(=O)COC2=CC=CC=C21

InChI

InChI=1S/C17H24N4O3S/c1-2-3-6-10-18-17(25)20-19-15(22)9-11-21-13-7-4-5-8-14(13)24-12-16(21)23/h4-5,7-8H,2-3,6,9-12H2,1H3,(H,19,22)(H2,18,20,25)