1-[(2S)-2-methylheptyl]-3-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]thiourea

Systemtic Name: 1-[(2S)-2-methylheptyl]-3-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoylamino]thiourea Openeye Name: 1-[(2S)-2-methylheptyl]-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]thiourea CAS Name: 1-[(2S)-2-methylheptyl]-3-[[1-oxo-3-(3-oxo-1,4-benzoxazin-4-yl)propyl]amino]thiourea IUPAC Name: 1-[(2S)-2-methylheptyl]-3-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]thiourea Traditional Name: 1-[3-(3-keto-1,4-benzoxazin-4-yl)propanoylamino]-3-[(2S)-2-methylheptyl]thiourea Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)CCN1C(=O)COC2=CC=CC=C21

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)CCN1C(=O)COC2=CC=CC=C21

InChI

InChI=1S/C20H30N4O3S/c1-3-4-5-8-15(2)13-21-20(28)23-22-18(25)11-12-24-16-9-6-7-10-17(16)27-14-19(24)26/h6-7,9-10,15H,3-5,8,11-14H2,1-2H3,(H,22,25)(H2,21,23,28)/t15-/m0/s1