1-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-3-isopentyl-thiourea CAS Name: 1-[[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-1-oxopropyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propanoylamino]-3-isoamyl-thiourea Formula: C16H21ClN4O3S MolecularWeight: 384.88094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)CCN1C2=C(C=C(C=C2)Cl)OC1=O

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)CCN1C2=C(C=C(C=C2)Cl)OC1=O

InChI

InChI=1S/C16H21ClN4O3S/c1-10(2)5-7-18-15(25)20-19-14(22)6-8-21-12-4-3-11(17)9-13(12)24-16(21)23/h3-4,9-10H,5-8H2,1-2H3,(H,19,22)(H2,18,20,25)